3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile

C48H30N4 — CID 126610495

IUPAC3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C48H30N4/c49-31-32-12-10-13-34(26-32)43-19-11-20-44(50-43)36-27-35(28-38(29-36)52-45-21-7-4-16-39(45)40-17-5-8-22-46(40)52)33-24-25-48-42(30-33)41-18-6-9-23-47(41)51(48)37-14-2-1-3-15-37/h1-30H
InChIKeyQHLKHTHSVPNKEK-UHFFFAOYSA-N
MW662.80 g/mol
LogP12.15
Rot. Bonds5

About 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile

3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile (PubChem CID 126610495) has the molecular formula C48H30N4 and a molecular weight of 662.80 g/mol. Its IUPAC name is 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
PubChem CID126610495
Molecular FormulaC48H30N4
Molecular Weight662.80 g/mol
Exact Mass662.25
IUPAC Name3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)n2)c1
InChIInChI=1S/C48H30N4/c49-31-32-12-10-13-34(26-32)43-19-11-20-44(50-43)36-27-35(28-38(29-36)52-45-21-7-4-16-39(45)40-17-5-8-22-46(40)52)33-24-25-48-42(30-33)41-18-6-9-23-47(41)51(48)37-14-2-1-3-15-37/h1-30H
InChIKeyQHLKHTHSVPNKEK-UHFFFAOYSA-N
XLogP12.15
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.80
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]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

9-[3-[6-(3-cyanophenyl)-2-pyridinyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3,6-dicarbonitrile
CID 126610498
9-[3-[3-(3-cyanophenyl)phenyl]-5-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 126610493
3-[4,6-bis[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-2-yl]benzonitrile
CID 118259301
3-[3-(2-naphthalen-2-ylcarbazol-9-yl)-5-(6-phenyl-2-pyridinyl)phenyl]benzonitrile
CID 140922166
3-[2-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 90088595
3-[9-[3-[3,6-bis(3-cyanophenyl)carbazol-9-yl]-5-(2,6-diphenyl-4-pyridinyl)phenyl]-6-(3-cyanophenyl)carbazol-3-yl]benzonitrile;9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(4,6-diphenyl-2-pyridinyl)phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 159521828
3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3,5-diphenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]-9-phenylcarbazole;3-[3-carbazol-9-yl-5-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-9-phenylcarbazole
CID 157469186
9-phenyl-3-[6-(9-phenylcarbazol-3-yl)-2-pyridinyl]carbazole
CID 58750690
4-[2-[3-[9-[4-[3-[3-[3-[9-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]carbazol-3-yl]carbazol-9-yl]phenyl]-5-phenylphenyl]phenyl]carbazol-3-yl]carbazol-9-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 118259418
4-[4-[3-[9-(3-phenylphenyl)carbazol-3-yl]carbazol-9-yl]phenyl]benzonitrile
CID 126747004
4-[2-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]benzonitrile
CID 118259269
3-carbazol-9-yl-5-[3-[3-(3-cyanophenyl)phenyl]phenyl]benzonitrile
CID 126761593

Frequently Asked Questions

What is the IUPAC name of 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile?
The IUPAC name of 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile (CID 126610495) is 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile.
What is the SMILES notation for 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile?
The canonical SMILES for 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2cccc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc(-n4c5ccccc5c5ccccc54)c3)n2)c1.
What is the InChIKey of 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile?
The InChIKey is QHLKHTHSVPNKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4/c49-31-32-12-10-13-34(26-32)43-19-11-20-44(50-43)36-27-35(28-38(29-36)52-45-21-7-4-16-39(45)40-17-5-8-22-46(40)52)33-24-25-48-42(30-33)41-18-6-9-23-47(41)51(48)37-14-2-1-3-15-37/h1-30H.
What are the key properties of 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile?
3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile has a molecular weight of 662.80 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[3-carbazol-9-yl-5-(9-phenylcarbazol-3-yl)phenyl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 126610495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).