9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide

C30H28N2O — CID 174401296

IUPAC9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCC(C)c1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3Cc3ccccc3)c2c1
InChIInChI=1S/C30H28N2O/c1-20(2)22-15-16-25-28(18-22)32(27-14-8-13-26(29(25)27)30(31)33)19-24-12-7-6-11-23(24)17-21-9-4-3-5-10-21/h3-16,18,20H,17,19H2,1-2H3,(H2,31,33)
InChIKeyCXUZCDDNAUOQPV-UHFFFAOYSA-N
MW432.57 g/mol
LogP6.66
Rot. Bonds6

About 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide

9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (PubChem CID 174401296) has the molecular formula C30H28N2O and a molecular weight of 432.57 g/mol. Its IUPAC name is 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
PubChem CID174401296
Molecular FormulaC30H28N2O
Molecular Weight432.57 g/mol
Exact Mass432.22
IUPAC Name9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
SMILESCC(C)c1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3Cc3ccccc3)c2c1
InChIInChI=1S/C30H28N2O/c1-20(2)22-15-16-25-28(18-22)32(27-14-8-13-26(29(25)27)30(31)33)19-24-12-7-6-11-23(24)17-21-9-4-3-5-10-21/h3-16,18,20H,17,19H2,1-2H3,(H2,31,33)
InChIKeyCXUZCDDNAUOQPV-UHFFFAOYSA-N
XLogP6.66
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417531
9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401035
9-[(4-methylsulfonylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174414327
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
9-[(3-chloro-4-methoxyphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174417997
9-[(2-benzylphenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
CID 22741129
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174400343
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178

Frequently Asked Questions

What is the IUPAC name of 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide (CID 174401296) is 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is CC(C)c1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3Cc3ccccc3)c2c1.
What is the InChIKey of 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
The InChIKey is CXUZCDDNAUOQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O/c1-20(2)22-15-16-25-28(18-22)32(27-14-8-13-26(29(25)27)30(31)33)19-24-12-7-6-11-23(24)17-21-9-4-3-5-10-21/h3-16,18,20H,17,19H2,1-2H3,(H2,31,33).
What are the key properties of 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide?
9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide has a molecular weight of 432.57 g/mol, XLogP of 6.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide is sourced from PubChem (CID 174401296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).