2,9-Bis(5-chloro-2-methylphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone (C₃₈H₂₀Cl₂N₂O₄) - #2131

Calculation?

XC Functional CAM-B3LYP

Basis Set def2-TZVP

Charge 0.0

Spin 0.0

Total Energy [eV]? -75935.34

Code Orca 6.1.1

Author Dominik Brandstetter

Date 2026-09-11 11:09:18

Added? 2026-09-15 07:52:36

Legacy ID? None

System?

Full Name 2,9-Bis(5-chloro-2-methylphenyl)isoquinolino[4',5',6':6,5,10]anthra[2,1,9-def]isoquinoline-1,3,8,10(2H,9H)-tetrone

Short Name CID106682

PubChem CID 106682

Formula C₃₈H₂₀Cl₂N₂O₄

Mass 639.5 u

Point Group? C_s

Orientation? zx

Aliases 7,18-bis(5-chloro-2-methylphenyl)-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(5-chloro-2-methylphenyl)-
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(5-chloro-2-methylphenyl)-