2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile

C38H22N4 — CID 134604230

IUPAC2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2cc3c(cc2-n2c4ccccc4c4ccccc42)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C38H22N4/c39-23-25-18-19-26(24-40)31(20-25)33-22-37-32(30-14-6-7-15-34(30)41(37)27-10-2-1-3-11-27)21-38(33)42-35-16-8-4-12-28(35)29-13-5-9-17-36(29)42/h1-22H
InChIKeySXFPQXYAARIIOU-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

About 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile

2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile (PubChem CID 134604230) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile
PubChem CID134604230
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2cc3c(cc2-n2c4ccccc4c4ccccc42)c2ccccc2n3-c2ccccc2)c1
InChIInChI=1S/C38H22N4/c39-23-25-18-19-26(24-40)31(20-25)33-22-37-32(30-14-6-7-15-34(30)41(37)27-10-2-1-3-11-27)21-38(33)42-35-16-8-4-12-28(35)29-13-5-9-17-36(29)42/h1-22H
InChIKeySXFPQXYAARIIOU-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

3-carbazol-9-yl-9-[4-(2-carbazol-9-yl-5-cyanophenyl)phenyl]carbazole-2-carbonitrile
CID 154958579
2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile
CID 140903311
3-carbazol-9-yl-4-[2-(5-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155080664
3-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,2-dicarbonitrile
CID 134604425
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418130
2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile
CID 134604282
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
9-[2-[2-cyano-5-[4-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080988
9-[4-[4-cyano-3-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-2-carbonitrile
CID 155080950
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
2-[3-carbazol-9-yl-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
9-[2-[3-(4-carbazol-9-ylphenyl)-4-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155081345

Frequently Asked Questions

What is the IUPAC name of 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile (CID 134604230) is 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-c2cc3c(cc2-n2c4ccccc4c4ccccc42)c2ccccc2n3-c2ccccc2)c1.
What is the InChIKey of 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile?
The InChIKey is SXFPQXYAARIIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-18-19-26(24-40)31(20-25)33-22-37-32(30-14-6-7-15-34(30)41(37)27-10-2-1-3-11-27)21-38(33)42-35-16-8-4-12-28(35)29-13-5-9-17-36(29)42/h1-22H.
What are the key properties of 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile?
2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-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 2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 134604230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).