2,9-Bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetrone (C₄₀H₂₆N₂O₄) - #2314

Calculation?

XC Functional CAM-B3LYP

Basis Set def2-TZVP

Charge 0.0

Spin 0.0

Total Energy [eV]? -53060.12

Code Orca 6.1.1

Author Dominik Brandstetter

Date 2026-09-11 07:21:20

Added? 2026-09-15 10:44:09

Legacy ID? None

System?

Full Name 2,9-Bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2h,9h)-tetrone

Short Name CID62555

PubChem CID 62555

Formula C₄₀H₂₆N₂O₄

Mass 598.7 u

Point Group? C₁

Orientation? xz

Aliases 2,9-BIS(3,5-DIMETHYLPHENYL)ANTHRA(2,1,9-DEF:6,5,10- D'E'F')DIISOQUINOLINE-1,3,8,10(2H,9H)-TETRONE
2,9-Bis(3,5-dimethylphenyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
2,9-Bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
2,9-Bis(3,5-dimethylphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone
7,18-bis(3,5-dimethylphenyl)-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
Anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-