5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

C32H23N3 — CID 138566079

IUPAC5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2C)c1
InChIInChI=1S/C32H23N3/c1-21-6-5-7-24(16-21)25-10-11-31-29(18-25)27-8-3-4-9-30(27)35(31)32-19-28(23-12-14-34-15-13-23)26(20-33)17-22(32)2/h3-19H,1-2H3
InChIKeyWMXQSLFBBIQCOQ-UHFFFAOYSA-N
MW449.56 g/mol
LogP8.00
Rot. Bonds3

About 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile

5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (PubChem CID 138566079) has the molecular formula C32H23N3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
PubChem CID138566079
Molecular FormulaC32H23N3
Molecular Weight449.56 g/mol
Exact Mass449.19
IUPAC Name5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
SMILESCc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2C)c1
InChIInChI=1S/C32H23N3/c1-21-6-5-7-24(16-21)25-10-11-31-29(18-25)27-8-3-4-9-30(27)35(31)32-19-28(23-12-14-34-15-13-23)26(20-33)17-22(32)2/h3-19H,1-2H3
InChIKeyWMXQSLFBBIQCOQ-UHFFFAOYSA-N
XLogP8.00
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.56
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
CID 138565529
4-[9-(4-cyano-2-methyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565522
5-methyl-4-[2-(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565570
5-[3,6-bis(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138565576
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565649
4-[3-[3,5-bis(trifluoromethyl)phenyl]carbazol-9-yl]-5-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566139
3,5-bis[2,7-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3,6-bis(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile;3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridin-4-ylbenzonitrile
CID 161207738
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
2-[3,5-bis[3-(3-methylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146544406
5-[9-(4-cyano-2-phenyl-5-pyridin-4-ylphenyl)-6-(3,5-dicyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 138565650
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479
4,5-bis[2,7-bis(4-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 134302157

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile (CID 138566079) is 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is Cc1cccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2C)c1.
What is the InChIKey of 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
The InChIKey is WMXQSLFBBIQCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23N3/c1-21-6-5-7-24(16-21)25-10-11-31-29(18-25)27-8-3-4-9-30(27)35(31)32-19-28(23-12-14-34-15-13-23)26(20-33)17-22(32)2/h3-19H,1-2H3.
What are the key properties of 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile?
5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile has a molecular weight of 449.56 g/mol, XLogP of 8.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138566079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).