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

C38H22N4 — CID 134604282

IUPAC2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2c(-n3c4ccccc4c4ccccc43)ccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C38H22N4/c39-23-25-18-19-26(24-40)32(22-25)37-36(42-34-16-8-4-12-28(34)29-13-5-9-17-35(29)42)21-20-31-30-14-6-7-15-33(30)41(38(31)37)27-10-2-1-3-11-27/h1-22H
InChIKeyQSVOWQBMBRGWCS-UHFFFAOYSA-N
MW534.62 g/mol
LogP9.29
Rot. Bonds3

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

2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile (PubChem CID 134604282) has the molecular formula C38H22N4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile
PubChem CID134604282
Molecular FormulaC38H22N4
Molecular Weight534.62 g/mol
Exact Mass534.18
IUPAC Name2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile
SMILESN#Cc1ccc(C#N)c(-c2c(-n3c4ccccc4c4ccccc43)ccc3c4ccccc4n(-c4ccccc4)c23)c1
InChIInChI=1S/C38H22N4/c39-23-25-18-19-26(24-40)32(22-25)37-36(42-34-16-8-4-12-28(34)29-13-5-9-17-35(29)42)21-20-31-30-14-6-7-15-33(30)41(38(31)37)27-10-2-1-3-11-27/h1-22H
InChIKeyQSVOWQBMBRGWCS-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
2-[2-(3,6-ditert-butylcarbazol-9-yl)-9-(2,6-dimethylphenyl)carbazol-1-yl]benzene-1,4-dicarbonitrile
CID 134604326
3-(2-carbazol-9-ylphenyl)-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 129291095
9-[2-[4-(1-carbazol-9-ylcarbazol-9-yl)phenyl]-3-cyanophenyl]carbazole-2-carbonitrile
CID 152884793
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-6-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958355
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
2-[2-phenyl-4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]benzene-1,4-dicarbonitrile
CID 140903238
9-[2-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 154958354
4-(15,24-diphenyl-6,15,24-triazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaen-6-yl)-3-phenylbenzonitrile
CID 146180146
9-[3-[2-(1-carbazol-9-ylcarbazol-9-yl)-5-cyanophenyl]phenyl]carbazole-2-carbonitrile
CID 148661085
9-[9-(9-phenylcarbazol-3-yl)carbazol-1-yl]carbazole-3,6-dicarbonitrile
CID 145345259
2-(4-carbazol-9-yl-2,5-diphenylphenyl)benzene-1,4-dicarbonitrile
CID 140903311

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile?
The IUPAC name of 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile (CID 134604282) is 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile.
What is the SMILES notation for 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile?
The canonical SMILES for 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile is N#Cc1ccc(C#N)c(-c2c(-n3c4ccccc4c4ccccc43)ccc3c4ccccc4n(-c4ccccc4)c23)c1.
What is the InChIKey of 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile?
The InChIKey is QSVOWQBMBRGWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N4/c39-23-25-18-19-26(24-40)32(22-25)37-36(42-34-16-8-4-12-28(34)29-13-5-9-17-35(29)42)21-20-31-30-14-6-7-15-33(30)41(38(31)37)27-10-2-1-3-11-27/h1-22H.
What are the key properties of 2-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile?
2-(2-carbazol-9-yl-9-phenylcarbazol-1-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-(2-carbazol-9-yl-9-phenylcarbazol-1-yl)benzene-1,4-dicarbonitrile is sourced from PubChem (CID 134604282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).