CAS:123174-58-3 / 2,9-bis(2,6-diisopropylphenyl)-5,6,12,13-tetraphenoxyanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone--Hangzhou Chempro Technology Co., Ltd.

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CAS Number: 123174-58-3
2,9-bis(2,6-diisopropylphenyl)-5,6,12,13-tetraphenoxyanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone

Structure
Name: 2,9-bis(2,6-diisopropylphenyl)-5,6,12,13-tetraphenoxyanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetraone
Synonyms:

General Information

Product Number: 123174583

CAS Registry Number 123174-58-3
Name:
Anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis[2,6-bis(1-methylethyl)phenyl]-5,6,12,13-tetraphenoxy-
1,6,7,12-Tetraphenoxy-N,N'-bis(2,6-diisopropylphenyl)-3,4,9,10-penylenedicarboximide
BASF ROT 300
F 305
KF 856
LR 305 dye

Chemical Formula: C72H58N2O8
Exact Mass: 1078.42
Molecular Weight: 1079.24
m/z: 1078.42 (100.0%), 1079.42 (78.9%), 1080.43 (30.7%), 1081.43 (9.1%), 1080.42 (2.2%), 1082.43 (2.0%)

InChI:InChI=1S/C72H58N2O8/c1-39(2)47-31-21-32-48(40(3)4)67(47)73-69(75)51-35-55(79-43-23-13-9-14-24-43)61-63-57(81-45-27-17-11-18-28-45)37-53-60-54(72(78)74(71(53)77)68-49(41(5)6)33-22-34-50(68)42(7)8)38-58(82-46-29-19-12-20-30-46)64(66(60)63)62-56(80-44-25-15-10-16-26-44)36-52(70(73)76)59(51)65(61)62/h9-42H,1-8H3

InChI Key:ZZSIDSMUTXFKNS-UHFFFAOYSA-N

Canonical SMILES:CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=C(C=CC=C8C(C)C)C(C)C)OC9=CC=CC=C9)C1=C(C=C(C3=C41)C2=O)OC1=CC=CC=C1)OC1=CC=CC=C1)OC1=CC=CC=C1

Specification

98%

References

(1) Liu, Di; Chemical Physics Letters 2009, V482(1-3), P72-76 CAPLUS

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