1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile

C67H42N4 — CID 155131718

IUPAC1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccc3)c2c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C67H42N4/c68-43-52-42-59-54-28-16-17-29-60(54)69(53-26-14-5-15-27-53)66(59)67(71-63-36-32-50(46-22-10-3-11-23-46)40-57(63)58-41-51(33-37-64(58)71)47-24-12-4-13-25-47)65(52)70-61-34-30-48(44-18-6-1-7-19-44)38-55(61)56-39-49(31-35-62(56)70)45-20-8-2-9-21-45/h1-42H
InChIKeyWJCRWHUGULOWSB-UHFFFAOYSA-N
MW903.10 g/mol
LogP17.52
Rot. Bonds7

About 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile

1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile (PubChem CID 155131718) has the molecular formula C67H42N4 and a molecular weight of 903.10 g/mol. Its IUPAC name is 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile.

Molecular Properties

Compound Name1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile
PubChem CID155131718
Molecular FormulaC67H42N4
Molecular Weight903.10 g/mol
Exact Mass902.34
IUPAC Name1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile
SMILESN#Cc1cc2c3ccccc3n(-c3ccccc3)c2c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C67H42N4/c68-43-52-42-59-54-28-16-17-29-60(54)69(53-26-14-5-15-27-53)66(59)67(71-63-36-32-50(46-22-10-3-11-23-46)40-57(63)58-41-51(33-37-64(58)71)47-24-12-4-13-25-47)65(52)70-61-34-30-48(44-18-6-1-7-19-44)38-55(61)56-39-49(31-35-62(56)70)45-20-8-2-9-21-45/h1-42H
InChIKeyWJCRWHUGULOWSB-UHFFFAOYSA-N
XLogP17.52
TPSA38.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500903.10
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-2-carbonitrile
CID 155131662
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
2-methyl-3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418402
3-carbazol-9-yl-5-isocyano-2,4-bis(3-phenylcarbazol-9-yl)benzonitrile
CID 170670776
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
2-(3,6,9-triphenylcarbazol-1-yl)benzene-1,3-dicarbonitrile
CID 155357395
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 155357564
3-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158667860
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile?
The IUPAC name of 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile (CID 155131718) is 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile.
What is the SMILES notation for 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile?
The canonical SMILES for 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile is N#Cc1cc2c3ccccc3n(-c3ccccc3)c2c(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccc(-c3ccccc3)cc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile?
The InChIKey is WJCRWHUGULOWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H42N4/c68-43-52-42-59-54-28-16-17-29-60(54)69(53-26-14-5-15-27-53)66(59)67(71-63-36-32-50(46-22-10-3-11-23-46)40-57(63)58-41-51(33-37-64(58)71)47-24-12-4-13-25-47)65(52)70-61-34-30-48(44-18-6-1-7-19-44)38-55(61)56-39-49(31-35-62(56)70)45-20-8-2-9-21-45/h1-42H.
What are the key properties of 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile?
1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile has a molecular weight of 903.10 g/mol, XLogP of 17.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazole-3-carbonitrile is sourced from PubChem (CID 155131718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).