3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile

C47H30N4 — CID 129299851

IUPAC3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(C#N)cc3-c3cc(C#N)cc(-n4c5ccccc5c5ccccc54)c3)c21
InChIInChI=1S/C47H30N4/c1-47(2)39-15-7-3-14-37(39)45-40(47)21-20-36-35-13-6-10-18-43(35)51(46(36)45)44-22-19-29(27-48)25-38(44)31-23-30(28-49)24-32(26-31)50-41-16-8-4-11-33(41)34-12-5-9-17-42(34)50/h3-26H,1-2H3
InChIKeyDOSBNCDSAOBSDO-UHFFFAOYSA-N
MW650.79 g/mol
LogP11.60
Rot. Bonds3

About 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile

3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile (PubChem CID 129299851) has the molecular formula C47H30N4 and a molecular weight of 650.79 g/mol. Its IUPAC name is 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile
PubChem CID129299851
Molecular FormulaC47H30N4
Molecular Weight650.79 g/mol
Exact Mass650.25
IUPAC Name3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile
SMILESCC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(C#N)cc3-c3cc(C#N)cc(-n4c5ccccc5c5ccccc54)c3)c21
InChIInChI=1S/C47H30N4/c1-47(2)39-15-7-3-14-37(39)45-40(47)21-20-36-35-13-6-10-18-43(35)51(46(36)45)44-22-19-29(27-48)25-38(44)31-23-30(28-49)24-32(26-31)50-41-16-8-4-11-33(41)34-12-5-9-17-42(34)50/h3-26H,1-2H3
InChIKeyDOSBNCDSAOBSDO-UHFFFAOYSA-N
XLogP11.60
TPSA57.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.79
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-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

3-carbazol-9-yl-5-[3-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)phenyl]benzonitrile
CID 129290965
3-carbazol-9-yl-5-[3-cyano-5-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 168783318
2,3-bis(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzene-1,4-dicarbonitrile
CID 166572299
4-(3-carbazol-9-yl-5-cyanophenyl)-2-(7,7-diphenylindeno[1,2-a]carbazol-12-yl)benzene-1,3-dicarbonitrile
CID 129300295
9-[3-[2-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081651
4-carbazol-9-yl-3-[5-cyano-2-(11,11-dimethylindeno[1,2-b]carbazol-5-yl)phenyl]benzonitrile
CID 129300013
9-[2-[2-(3-carbazol-9-yl-5-cyanophenyl)-6-cyanophenyl]phenyl]carbazole-3-carbonitrile
CID 155079979
7,7-dimethyl-12-triphenylen-2-ylindeno[1,2-a]carbazole
CID 90441170
3-[2-[3-carbazol-9-yl-5-(9,9-dimethylacridin-10-yl)phenyl]phenyl]benzonitrile
CID 126496772
9-[3-[4-(2-carbazol-9-ylphenyl)-2-cyanophenyl]-5-cyanophenyl]carbazole-3,6-dicarbonitrile
CID 155081007
9-[3-[4-(2-carbazol-9-ylphenyl)phenyl]-5-cyanophenyl]carbazole-2-carbonitrile
CID 155080823
9-[2-[3-[3-cyano-5-(3-cyanocarbazol-9-yl)phenyl]phenyl]phenyl]carbazole-1,6-dicarbonitrile
CID 155081790

Frequently Asked Questions

What is the IUPAC name of 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile?
The IUPAC name of 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile (CID 129299851) is 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile?
The canonical SMILES for 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile is CC1(C)c2ccccc2-c2c1ccc1c3ccccc3n(-c3ccc(C#N)cc3-c3cc(C#N)cc(-n4c5ccccc5c5ccccc54)c3)c21.
What is the InChIKey of 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile?
The InChIKey is DOSBNCDSAOBSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N4/c1-47(2)39-15-7-3-14-37(39)45-40(47)21-20-36-35-13-6-10-18-43(35)51(46(36)45)44-22-19-29(27-48)25-38(44)31-23-30(28-49)24-32(26-31)50-41-16-8-4-11-33(41)34-12-5-9-17-42(34)50/h3-26H,1-2H3.
What are the key properties of 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile?
3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile has a molecular weight of 650.79 g/mol, XLogP of 11.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-carbazol-9-yl-5-cyanophenyl)-4-(7,7-dimethylindeno[1,2-a]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 129299851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).