9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide

C34H26N2O3 — CID 174414302

IUPAC9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccccc4C(=O)c4ccccc4)c3c2)cc1
InChIInChI=1S/C34H26N2O3/c1-39-26-17-14-22(15-18-26)24-16-19-28-31(20-24)36(30-13-7-12-29(32(28)30)34(35)38)21-25-10-5-6-11-27(25)33(37)23-8-3-2-4-9-23/h2-20H,21H2,1H3,(H2,35,38)
InChIKeyZQYSBTRQQOILOL-UHFFFAOYSA-N
MW510.59 g/mol
LogP6.85
Rot. Bonds7

About 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide

9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (PubChem CID 174414302) has the molecular formula C34H26N2O3 and a molecular weight of 510.59 g/mol. Its IUPAC name is 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
PubChem CID174414302
Molecular FormulaC34H26N2O3
Molecular Weight510.59 g/mol
Exact Mass510.19
IUPAC Name9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCOc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccccc4C(=O)c4ccccc4)c3c2)cc1
InChIInChI=1S/C34H26N2O3/c1-39-26-17-14-22(15-18-26)24-16-19-28-31(20-24)36(30-13-7-12-29(32(28)30)34(35)38)21-25-10-5-6-11-27(25)33(37)23-8-3-2-4-9-23/h2-20H,21H2,1H3,(H2,35,38)
InChIKeyZQYSBTRQQOILOL-UHFFFAOYSA-N
XLogP6.85
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.59
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174418321
9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
9-[(2,6-dichlorophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 175233547
7-(4-chlorophenyl)-9-[(2-methoxyphenyl)methyl]carbazole-4-carboxamide
CID 174417826
9-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414660
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 175235829
7-(4-chlorophenyl)-9-[(2-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 174414665
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517

Frequently Asked Questions

What is the IUPAC name of 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (CID 174414302) is 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is COc1ccc(-c2ccc3c4c(C(N)=O)cccc4n(Cc4ccccc4C(=O)c4ccccc4)c3c2)cc1.
What is the InChIKey of 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The InChIKey is ZQYSBTRQQOILOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N2O3/c1-39-26-17-14-22(15-18-26)24-16-19-28-31(20-24)36(30-13-7-12-29(32(28)30)34(35)38)21-25-10-5-6-11-27(25)33(37)23-8-3-2-4-9-23/h2-20H,21H2,1H3,(H2,35,38).
What are the key properties of 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 6.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174414302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).