3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile

C44H32N4 — CID 167280093

IUPAC3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile
SMILESC/C=C\c1c(C)c2ccccc2n1C1C=CC=CC1c1c(C#N)cccc1-c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C44H32N4/c1-3-13-38-29(2)33-15-4-8-20-40(33)47(38)43-23-11-7-18-37(43)44-31(27-45)14-12-19-34(44)30-24-25-39(32(26-30)28-46)48-41-21-9-5-16-35(41)36-17-6-10-22-42(36)48/h3-26,37,43H,1-2H3/b13-3-
InChIKeyURCSBRWVUJXYHQ-DXNYSGJVSA-N
MW616.77 g/mol
LogP10.94
Rot. Bonds5

About 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile

3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile (PubChem CID 167280093) has the molecular formula C44H32N4 and a molecular weight of 616.77 g/mol. Its IUPAC name is 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile.

Molecular Properties

Compound Name3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile
PubChem CID167280093
Molecular FormulaC44H32N4
Molecular Weight616.77 g/mol
Exact Mass616.26
IUPAC Name3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile
SMILESC/C=C\c1c(C)c2ccccc2n1C1C=CC=CC1c1c(C#N)cccc1-c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1
InChIInChI=1S/C44H32N4/c1-3-13-38-29(2)33-15-4-8-20-40(33)47(38)43-23-11-7-18-37(43)44-31(27-45)14-12-19-34(44)30-24-25-39(32(26-30)28-46)48-41-21-9-5-16-35(41)36-17-6-10-22-42(36)48/h3-26,37,43H,1-2H3/b13-3-
InChIKeyURCSBRWVUJXYHQ-DXNYSGJVSA-N
XLogP10.94
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.77
LogP ≤ 510.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[2-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]phenyl]dibenzofuran-4-carbonitrile
CID 170382424
9-phenyl-3-(9-phenyl-4b,8a-dihydrocarbazol-4-yl)carbazole-1-carbonitrile
CID 163835714
9-[4-[3-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-3-carbonitrile
CID 155080575
2-carbazol-9-yl-3-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]benzonitrile
CID 155080383
9-[2-[4-(4-carbazol-9-yl-3-cyanophenyl)phenyl]phenyl]carbazole-4-carbonitrile
CID 155080681
9-[2-[4-(2-carbazol-9-ylcarbazol-9-yl)-3-cyanophenyl]phenyl]carbazole-1-carbonitrile
CID 154958111
2-carbazol-9-yl-5-[4-[2-(10-phenylanthracen-9-yl)phenyl]phenyl]benzonitrile
CID 167336282
6-carbazol-9-yl-9-[2-cyano-4-[2-(3-cyanocarbazol-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 154958315
6-carbazol-9-yl-9-[2-(4-carbazol-9-yl-3-cyanophenyl)phenyl]carbazole-3-carbonitrile
CID 154958499
2-[3,4-di(carbazol-9-yl)phenyl]benzene-1,3-dicarbonitrile
CID 129303675
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2-carbonitrile
CID 155081299
9-[4-[2-(2-carbazol-9-ylphenyl)phenyl]-2-cyanophenyl]carbazole-2,6-dicarbonitrile
CID 155080077

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile?
The IUPAC name of 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile (CID 167280093) is 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile.
What is the SMILES notation for 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile?
The canonical SMILES for 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile is C/C=C\c1c(C)c2ccccc2n1C1C=CC=CC1c1c(C#N)cccc1-c1ccc(-n2c3ccccc3c3ccccc32)c(C#N)c1.
What is the InChIKey of 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile?
The InChIKey is URCSBRWVUJXYHQ-DXNYSGJVSA-N. The full InChI is InChI=1S/C44H32N4/c1-3-13-38-29(2)33-15-4-8-20-40(33)47(38)43-23-11-7-18-37(43)44-31(27-45)14-12-19-34(44)30-24-25-39(32(26-30)28-46)48-41-21-9-5-16-35(41)36-17-6-10-22-42(36)48/h3-26,37,43H,1-2H3/b13-3-.
What are the key properties of 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile?
3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile has a molecular weight of 616.77 g/mol, XLogP of 10.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbazol-9-yl-3-cyanophenyl)-2-[6-[3-methyl-2-[(Z)-prop-1-enyl]indol-1-yl]cyclohexa-2,4-dien-1-yl]benzonitrile is sourced from PubChem (CID 167280093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).