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

C38H22N4 — CID 122418130

IUPAC2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-14-15-28(24-40)37(20-25)42-35-13-7-5-11-31(35)33-21-26(17-19-36(33)42)27-16-18-32-30-10-4-6-12-34(30)41(38(32)22-27)29-8-2-1-3-9-29/h1-22H
InChIKeyJFPYFRAAFVTLIQ-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

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

2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile (PubChem CID 122418130) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
PubChem CID122418130
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1
InChIInChI=1S/C38H22N4/c39-23-25-14-15-28(24-40)37(20-25)42-35-13-7-5-11-31(35)33-21-26(17-19-36(33)42)27-16-18-32-30-10-4-6-12-34(30)41(38(32)22-27)29-8-2-1-3-9-29/h1-22H
InChIKeyJFPYFRAAFVTLIQ-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-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 122418228
6-(4-carbazol-9-ylphenyl)-9-phenylcarbazole-2-carbonitrile
CID 126690271
4-[3-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 122418325
2-[2-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzonitrile
CID 153302040
9-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]phenanthrene-3-carbonitrile
CID 140916273
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
4-[4-[2-[9-(4-cyanophenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 153301946
2-[3-(4-cyanophenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 134512928
9-[9-[4-(4-carbazol-9-ylphenyl)-2-cyanophenyl]carbazol-3-yl]carbazole-2-carbonitrile
CID 154958176
2-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]-4-isocyanobenzonitrile
CID 161076684
9-[5-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155604852
9-[2-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]carbazole-2-carbonitrile
CID 167403949

Frequently Asked Questions

What is the IUPAC name of 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The IUPAC name of 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile (CID 122418130) is 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6)c5c4)ccc32)c1.
What is the InChIKey of 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
The InChIKey is JFPYFRAAFVTLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-14-15-28(24-40)37(20-25)42-35-13-7-5-11-31(35)33-21-26(17-19-36(33)42)27-16-18-32-30-10-4-6-12-34(30)41(38(32)22-27)29-8-2-1-3-9-29/h1-22H.
What are the key properties of 2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile?
2-[3-(9-phenylcarbazol-2-yl)carbazol-9-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-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzene-1,4-dicarbonitrile is sourced from PubChem (CID 122418130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).