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

C32H19N3 — CID 155357564

IUPAC2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H19N3/c33-20-25-9-6-10-26(21-34)32(25)24-15-18-31-29(19-24)28-11-4-5-12-30(28)35(31)27-16-13-23(14-17-27)22-7-2-1-3-8-22/h1-19H
InChIKeyDRFULNNMAJFJCT-UHFFFAOYSA-N
MW445.53 g/mol
LogP7.86
Rot. Bonds3

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

2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (PubChem CID 155357564) has the molecular formula C32H19N3 and a molecular weight of 445.53 g/mol. Its IUPAC name is 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
PubChem CID155357564
Molecular FormulaC32H19N3
Molecular Weight445.53 g/mol
Exact Mass445.16
IUPAC Name2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
SMILESN#Cc1cccc(C#N)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C32H19N3/c33-20-25-9-6-10-26(21-34)32(25)24-15-18-31-29(19-24)28-11-4-5-12-30(28)35(31)27-16-13-23(14-17-27)22-7-2-1-3-8-22/h1-19H
InChIKeyDRFULNNMAJFJCT-UHFFFAOYSA-N
XLogP7.86
TPSA52.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6,9-diphenylcarbazol-2-yl)benzene-1,3-dicarbonitrile
CID 155357795
4-[4-[3-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 129065173
9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole-1-carbonitrile
CID 134597735
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[4-[4-[4-[3-[3-[4-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590322
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303675
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
2-[2-(3,6-diphenylcarbazol-9-yl)-9-phenylcarbazol-1-yl]benzene-1,3-dicarbonitrile
CID 134604428
3-[3-(3,5-diphenylphenyl)phenyl]-9-[4-[4-[3-[3-(3,5-diphenylphenyl)phenyl]carbazol-9-yl]phenyl]phenyl]carbazole
CID 88917356
3-(9-phenylcarbazol-3-yl)-9-[4-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590601
9-phenyl-3-[4-[3-(4-phenylphenyl)carbazol-9-yl]phenyl]carbazole
CID 126682013
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 118268216
3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 158377312

Frequently Asked Questions

What is the IUPAC name of 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The IUPAC name of 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile (CID 155357564) is 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is N#Cc1cccc(C#N)c1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
The InChIKey is DRFULNNMAJFJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3/c33-20-25-9-6-10-26(21-34)32(25)24-15-18-31-29(19-24)28-11-4-5-12-30(28)35(31)27-16-13-23(14-17-27)22-7-2-1-3-8-22/h1-19H.
What are the key properties of 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile?
2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile has a molecular weight of 445.53 g/mol, XLogP of 7.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile is sourced from PubChem (CID 155357564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).