2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

C50H34N4 — CID 146544406

IUPAC2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccccc2C#N)c1
InChIInChI=1S/C50H34N4/c1-32-11-9-14-34(25-32)36-21-23-46-42(27-36)40-17-5-7-19-44(40)53(46)48-30-52-31-49(50(48)39-16-4-3-13-38(39)29-51)54-45-20-8-6-18-41(45)43-28-37(22-24-47(43)54)35-15-10-12-33(2)26-35/h3-28,30-31H,1-2H3
InChIKeyFBLLTUDIWVQAKQ-UHFFFAOYSA-N
MW690.85 g/mol
LogP12.77
Rot. Bonds5

About 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile

2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (PubChem CID 146544406) has the molecular formula C50H34N4 and a molecular weight of 690.85 g/mol. Its IUPAC name is 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
PubChem CID146544406
Molecular FormulaC50H34N4
Molecular Weight690.85 g/mol
Exact Mass690.28
IUPAC Name2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccccc2C#N)c1
InChIInChI=1S/C50H34N4/c1-32-11-9-14-34(25-32)36-21-23-46-42(27-36)40-17-5-7-19-44(40)53(46)48-30-52-31-49(50(48)39-16-4-3-13-38(39)29-51)54-45-20-8-6-18-41(45)43-28-37(22-24-47(43)54)35-15-10-12-33(2)26-35/h3-28,30-31H,1-2H3
InChIKeyFBLLTUDIWVQAKQ-UHFFFAOYSA-N
XLogP12.77
TPSA46.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.85
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-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

2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
2-[3,5-bis[3-(2-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 142452378
4-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544354
2-[3,5-bis[3,6-bis(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544225
4-[3,5-bis(3-phenylcarbazol-9-yl)-4-pyridinyl]benzene-1,2-dicarbonitrile
CID 166759136
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
2-[3,5-bis(2-tert-butylcarbazol-9-yl)-4-pyridinyl]benzonitrile
CID 146544402
2-[2-[3-(3,5-dimethylphenyl)carbazol-9-yl]-5-[3-[3-(3,5-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]phenyl]benzonitrile
CID 153366425
2-[2-cyano-5-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-4-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile;ethane
CID 145427145
2-[3,5-bis[3,6-bis(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 153248796
2-[3,5-bis[2-(trifluoromethyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 162609734
2-[2-[2,6-bis(trifluoromethyl)phenyl]-6-[3-(3-methylphenyl)carbazol-9-yl]phenyl]-3-[3-(3-methylphenyl)carbazol-9-yl]benzonitrile
CID 138499994

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The IUPAC name of 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile (CID 146544406) is 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The canonical SMILES for 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cncc(-n3c4ccccc4c4cc(-c5cccc(C)c5)ccc43)c2-c2ccccc2C#N)c1.
What is the InChIKey of 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
The InChIKey is FBLLTUDIWVQAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H34N4/c1-32-11-9-14-34(25-32)36-21-23-46-42(27-36)40-17-5-7-19-44(40)53(46)48-30-52-31-49(50(48)39-16-4-3-13-38(39)29-51)54-45-20-8-6-18-41(45)43-28-37(22-24-47(43)54)35-15-10-12-33(2)26-35/h3-28,30-31H,1-2H3.
What are the key properties of 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile?
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile has a molecular weight of 690.85 g/mol, XLogP of 12.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 146544406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).