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

C33H25N3 — CID 138565529

IUPAC4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2C)c(C)c1
InChIInChI=1S/C33H25N3/c1-21-8-10-27(22(2)16-21)25-9-11-32-30(18-25)28-6-4-5-7-31(28)36(32)33-19-29(24-12-14-35-15-13-24)26(20-34)17-23(33)3/h4-19H,1-3H3
InChIKeyVPRRIBGXTLUABJ-UHFFFAOYSA-N
MW463.58 g/mol
LogP8.31
Rot. Bonds3

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

4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile (PubChem CID 138565529) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
PubChem CID138565529
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile
SMILESCc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2C)c(C)c1
InChIInChI=1S/C33H25N3/c1-21-8-10-27(22(2)16-21)25-9-11-32-30(18-25)28-6-4-5-7-31(28)36(32)33-19-29(24-12-14-35-15-13-24)26(20-34)17-23(33)3/h4-19H,1-3H3
InChIKeyVPRRIBGXTLUABJ-UHFFFAOYSA-N
XLogP8.31
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-[3-(3-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 138566079
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-[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-methyl-2-pyridin-4-ylbenzonitrile
CID 138565580
4,5-bis[2,7-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile
CID 146617377
2,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729264
2-[3,5-bis[3-(2,4-dimethylphenyl)carbazol-9-yl]-4-pyridinyl]benzonitrile
CID 146543797
4,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-2-(2,6-diphenyl-4-pyridinyl)benzonitrile
CID 134302040
4,5-bis(3-carbazol-9-ylcarbazol-9-yl)-2-pyridin-4-ylbenzonitrile
CID 134292574
2,5-bis[3,6-bis(2,4-dimethylphenyl)carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
CID 138729257
4,5-bis[2,7-bis(2-methylphenyl)carbazol-9-yl]-2-pyridin-4-ylbenzonitrile;9-[2-[3,6-bis(2-methylphenyl)carbazol-9-yl]-4-isocyano-5-pyridin-4-ylphenyl]-3,6-bis(2-methylphenyl)carbazole;9-[4-isocyano-2-[3-(2-methylphenyl)carbazol-9-yl]-5-pyridin-4-ylphenyl]-3-(2-methylphenyl)carbazole
CID 157242392
5-[2-(2-methylphenyl)carbazol-9-yl]-4-phenyl-2-pyridin-4-ylbenzonitrile
CID 138566479

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile?
The IUPAC name of 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile (CID 138565529) is 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile?
The canonical SMILES for 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile is Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccncc3)c(C#N)cc2C)c(C)c1.
What is the InChIKey of 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile?
The InChIKey is VPRRIBGXTLUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-21-8-10-27(22(2)16-21)25-9-11-32-30(18-25)28-6-4-5-7-31(28)36(32)33-19-29(24-12-14-35-15-13-24)26(20-34)17-23(33)3/h4-19H,1-3H3.
What are the key properties of 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile?
4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile has a molecular weight of 463.58 g/mol, XLogP of 8.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dimethylphenyl)carbazol-9-yl]-5-methyl-2-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 138565529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).