Description

2,9-Diphenylanthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetrone (CAS No. 128-65-4) is a high-purity polycyclic aromatic compound with the molecular formula C₃₆H₁₈N₂O₄. This structurally complex molecule features a rigid perylene-derived core functionalized with phenyl substituents, making it an excellent candidate for advanced materials research. The compound exhibits strong π-conjugation and is known for its potential photophysical and electronic properties. With an IUPAC name of 7,18-diphenyl-7,18-diazaheptacyclo[14.6.2.2^2,5.0^3,12.0^4,9.0^13,23.0^20,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone, it is supplied as a fine powder with ≥95% purity (HPLC). Suitable for organic electronics, photovoltaics, and as a building block for supramolecular architectures. Store in a cool, dry place protected from light.

Properties

• CAS Number: 128-65-4
• Complexity: 1010
• IUPAC Name: 7,18-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• InChI: InChI=1S/C36H18N2O4/c39-33-25-15-11-21-23-13-17-27-32-28(36(42)38(35(27)41)20-9-5-2-6-10-20)18-14-24(30(23)32)22-12-16-26(31(25)29(21)22)34(40)37(33)19-7-3-1-4-8-19/h1-18H
• InChI Key: OGEZSLXPCKHGKO-UHFFFAOYSA-N
• Exact Mass: 542.12665706
• Molecular Formula: C36H18N2O4
• Molecular Weight: 542.5
• SMILES: C1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC=CC=C9)C2=O
• Topological: 74.8
• Monoisotopic Mass: 542.12665706
• Synonyms: 128-65-4, N,N’-Diphenyl-3,4,9,10-perylenedicarboximide, 2,9-Diphenylanthra(2,1,9-def:6,5,10-d’e’f’)diisoquinoline-1,3,8,10(2H,9H)-tetrone, EINECS 204-902-7, DTXSID60155767, 2,9-diphenylanthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2h,9h)-tetrone, DTXCID9078258, 204-902-7, Anthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-diphenyl-, DP-PTCDI, 2,9-Diphenylanthra[2,1,9-def:6,5,10-d’e’f’]diisoquinoline-1,3,8,10(2H,9H)-tetraone, n,n’-diphenyl-3,4,9,10-perylene dicarboximide, 7,18-diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone, SCHEMBL1127945, AKOS000506018, AS-39339, NS00024055, ST50215954, Perylenetetracarboxylic N,N’-bis(phenylimide), N,N’-Diphenyl-3,4,9,10-perylenedicarboximide, 98%, N,N’-Diphenylperylene-3,4:9,10-bis(dicarboximide), 3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, N,N’-diphenyl-, N,N inverted exclamation mark -Diphenyl-3,4,9,10-perylene dicarboximide, 2,9-Diphenylanthra[2,1,9-def:6,5,10-d’e’f]diisoquinoline-1,3,8,10(2H,9H)-tetrone

Application

This compound serves as a key intermediate in the synthesis of organic semiconductors and n-type materials for OLEDs and photovoltaic devices. Its extended π-system makes it valuable for studying charge transport mechanisms in thin-film transistors. Researchers also utilize it as a fluorescent probe due to its potential high quantum yield and photostability. The rigid structure is of interest for designing molecular wires and conductive polymers.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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