9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide

C27H22N2O — CID 174424042

IUPAC9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(-c4ccccc4)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C27H22N2O/c1-18-10-12-19(13-11-18)17-29-24-9-5-8-23(27(28)30)26(24)22-15-14-21(16-25(22)29)20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H2,28,30)
InChIKeyQZRMLWUCDBNKBO-UHFFFAOYSA-N
MW390.49 g/mol
LogP5.92
Rot. Bonds4

About 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide

9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide (PubChem CID 174424042) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
PubChem CID174424042
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(-c4ccccc4)ccc3c3c(C(N)=O)cccc32)cc1
InChIInChI=1S/C27H22N2O/c1-18-10-12-19(13-11-18)17-29-24-9-5-8-23(27(28)30)26(24)22-15-14-21(16-25(22)29)20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H2,28,30)
InChIKeyQZRMLWUCDBNKBO-UHFFFAOYSA-N
XLogP5.92
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
9-[(4-bromophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174414760
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
9-[(4-ethoxyphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174401373
7-(4-chlorophenyl)-9-(furan-3-ylmethyl)carbazole-4-carboxamide
CID 174399731
9-[(3-acetamidophenyl)methyl]-7-(4-chlorophenyl)carbazole-4-carboxamide
CID 174401014
9-[(4-acetamidophenyl)methyl]-7-(2,6-dichlorophenyl)carbazole-4-carboxamide
CID 174414749
7-(2,4-dichlorophenyl)-9-[(3-methylphenyl)methyl]carbazole-4-carboxamide
CID 175233520
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858

Frequently Asked Questions

What is the IUPAC name of 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The IUPAC name of 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide (CID 174424042) is 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide is Cc1ccc(Cn2c3cc(-c4ccccc4)ccc3c3c(C(N)=O)cccc32)cc1.
What is the InChIKey of 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The InChIKey is QZRMLWUCDBNKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-18-10-12-19(13-11-18)17-29-24-9-5-8-23(27(28)30)26(24)22-15-14-21(16-25(22)29)20-6-3-2-4-7-20/h2-16H,17H2,1H3,(H2,28,30).
What are the key properties of 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide is sourced from PubChem (CID 174424042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).