3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile

C38H22N4 — CID 134604425

IUPAC3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2cc3c(cc2-n2c4ccccc4c4ccccc42)c2ccccc2n3-c2ccccc2)c1C#N
InChIInChI=1S/C38H22N4/c39-23-25-11-10-17-27(33(25)24-40)31-21-37-32(30-16-6-7-18-34(30)41(37)26-12-2-1-3-13-26)22-38(31)42-35-19-8-4-14-28(35)29-15-5-9-20-36(29)42/h1-22H
InChIKeyCCOOVVMBWJRQIW-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile

3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile (PubChem CID 134604425) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
PubChem CID134604425
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(-c2cc3c(cc2-n2c4ccccc4c4ccccc42)c2ccccc2n3-c2ccccc2)c1C#N
InChIInChI=1S/C38H22N4/c39-23-25-11-10-17-27(33(25)24-40)31-21-37-32(30-16-6-7-18-34(30)41(37)26-12-2-1-3-13-26)22-38(31)42-35-19-8-4-14-28(35)29-15-5-9-20-36(29)42/h1-22H
InChIKeyCCOOVVMBWJRQIW-UHFFFAOYSA-N
XLogP9.29
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.62
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile
CID 134604230
3,4-bis(5-phenylindolo[3,2-b]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 166572147
3-(2-carbazol-9-ylphenyl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 129291094
3,5-bis(7-phenylindolo[2,3-b]carbazol-5-yl)benzene-1,2-dicarbonitrile
CID 166572197
3-[2,5-bis[3,6-di(carbazol-9-yl)carbazol-9-yl]-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759243
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-6-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile
CID 169060002
2-carbazol-9-yl-5-[4-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122414458
9-[2-[3-(3-carbazol-9-ylcarbazol-9-yl)-2-cyanophenyl]phenyl]carbazole-4-carbonitrile
CID 154958336
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
3-[3-(6,9-diphenylcarbazol-3-yl)-6-phenylcarbazol-9-yl]benzene-1,2-dicarbonitrile
CID 122414420
3-carbazol-9-yl-9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-2-carbonitrile
CID 154958579
5-carbazol-9-yl-3-[2-(2-carbazol-9-ylphenyl)phenyl]benzene-1,2-dicarbonitrile
CID 155080659

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
The IUPAC name of 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile (CID 134604425) is 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile is N#Cc1cccc(-c2cc3c(cc2-n2c4ccccc4c4ccccc42)c2ccccc2n3-c2ccccc2)c1C#N.
What is the InChIKey of 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
The InChIKey is CCOOVVMBWJRQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-11-10-17-27(33(25)24-40)31-21-37-32(30-16-6-7-18-34(30)41(37)26-12-2-1-3-13-26)22-38(31)42-35-19-8-4-14-28(35)29-15-5-9-20-36(29)42/h1-22H.
What are the key properties of 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile?
3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile has a molecular weight of 534.62 g/mol, XLogP of 9.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 134604425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).