2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile

C38H23N3 — CID 140903311

IUPAC2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)cc2-c2ccccc2)c1
InChIInChI=1S/C38H23N3/c39-24-26-19-20-29(25-40)32(21-26)35-22-34(28-13-5-2-6-14-28)38(23-33(35)27-11-3-1-4-12-27)41-36-17-9-7-15-30(36)31-16-8-10-18-37(31)41/h1-23H
InChIKeyZUFAOMRXPSLZOV-UHFFFAOYSA-N
MW521.62 g/mol
LogP9.53
Rot. Bonds4

About 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile

2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile (PubChem CID 140903311) has the molecular formula C38H23N3 and a molecular weight of 521.62 g/mol. Its IUPAC name is 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile
PubChem CID140903311
Molecular FormulaC38H23N3
Molecular Weight521.62 g/mol
Exact Mass521.19
IUPAC Name2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)cc2-c2ccccc2)c1
InChIInChI=1S/C38H23N3/c39-24-26-19-20-29(25-40)32(21-26)35-22-34(28-13-5-2-6-14-28)38(23-33(35)27-11-3-1-4-12-27)41-36-17-9-7-15-30(36)31-16-8-10-18-37(31)41/h1-23H
InChIKeyZUFAOMRXPSLZOV-UHFFFAOYSA-N
XLogP9.53
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.62
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-carbazol-9-yl-9-phenylcarbazol-2-yl)benzene-1,4-dicarbonitrile
CID 134604230
9-[2-cyano-4-(3-cyanocarbazol-9-yl)-5-(3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 155377727
4-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-3-[2-[3-(4-carbazol-9-yl-3-phenylphenyl)carbazol-9-yl]-5-cyanophenyl]benzonitrile
CID 167035208
5-[4-cyano-2,5-bis(2-cyanocarbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 139538845
3-(5-carbazol-9-yl-2-cyanophenyl)-4-(2-carbazol-9-ylphenyl)benzonitrile
CID 155079777
4-[4-[3,6-di(carbazol-9-yl)carbazol-9-yl]-2,5-diphenylphenyl]-3-isocyanobenzonitrile
CID 140903301
4-(3-bromocarbazol-9-yl)-3-phenylbenzonitrile
CID 130440793
3-carbazol-9-yl-4-[2-(5-carbazol-9-yl-2-cyanophenyl)phenyl]benzonitrile
CID 155080664
3-carbazol-9-yl-4-[3-(3-carbazol-9-ylphenyl)-4-cyanophenyl]benzonitrile
CID 155079827
2-[4-(3-carbazol-9-ylcarbazol-9-yl)-2,6-diphenylphenyl]benzene-1,4-dicarbonitrile
CID 140903234
9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazole-3,6-dicarbonitrile
CID 138565912
9-[5-cyano-2-(3-cyanocarbazol-9-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazole-3-carbonitrile
CID 155217697

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile (CID 140903311) is 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-c2cc(-c3ccccc3)c(-n3c4ccccc4c4ccccc43)cc2-c2ccccc2)c1.
What is the InChIKey of 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile?
The InChIKey is ZUFAOMRXPSLZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N3/c39-24-26-19-20-29(25-40)32(21-26)35-22-34(28-13-5-2-6-14-28)38(23-33(35)27-11-3-1-4-12-27)41-36-17-9-7-15-30(36)31-16-8-10-18-37(31)41/h1-23H.
What are the key properties of 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile?
2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile has a molecular weight of 521.62 g/mol, XLogP of 9.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 140903311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).