12,13-Dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione (C₂₀H₁₁N₃O₂) - #1535

Calculation?

XC Functional CAM-B3LYP

Basis Set def2-TZVP

Charge 0.0

Spin 0.0

Total Energy [eV]? -29472.77

Code Orca 6.1.1

Author Dominik Brandstetter

Date 2026-09-09 22:05:31

Added? 2026-09-10 20:48:27

Legacy ID? None

System?

Full Name 12,13-Dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione

Short Name Arcyriaflavin A

PubChem CID 5327723

Formula C₂₀H₁₁N₃O₂

Mass 325.3 u

Point Group? C_2v

Orientation? yz

Aliases 12,13-Dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5 ,7(6H)-dione
3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione
3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17(22),18,20-nonaene-12,14-dione
3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
5H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione, 12,13-dihydro-
6,7,12,13-Tetrahydro-5,7-dioxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole
arcyriaflavin-a