9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide

C28H24N2O2 — CID 174417531

IUPAC9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c29-28(32)24-11-6-12-25-27(24)23-14-13-20(18-31)16-26(23)30(25)17-22-10-5-4-9-21(22)15-19-7-2-1-3-8-19/h1-14,16,31H,15,17-18H2,(H2,29,32)
InChIKeyCBBPNEAUKKERDH-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.02
Rot. Bonds6

About 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide

9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (PubChem CID 174417531) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
PubChem CID174417531
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
SMILESNC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccccc1Cc1ccccc1
InChIInChI=1S/C28H24N2O2/c29-28(32)24-11-6-12-25-27(24)23-14-13-20(18-31)16-26(23)30(25)17-22-10-5-4-9-21(22)15-19-7-2-1-3-8-19/h1-14,16,31H,15,17-18H2,(H2,29,32)
InChIKeyCBBPNEAUKKERDH-UHFFFAOYSA-N
XLogP5.02
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(hydroxymethyl)-9-[(2-iodophenyl)methyl]carbazole-4-carboxamide
CID 174400343
9-[(2-benzylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401296
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
7-(hydroxymethyl)-9-[(3-iodophenyl)methyl]carbazole-4-carboxamide
CID 174417942
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 174418413
9-[(2-benzylphenyl)methyl]-5-hydroxy-7-phenylcarbazole-4-carboxamide
CID 22741129
7-butyl-9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 174400032
9-[(3-chloro-4-methylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 175235943
9-[(4-ethoxyphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417543
9-[(2-benzoylphenyl)methyl]-7-chlorocarbazole-4-carboxamide
CID 174414136
7-ethyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazole-4-carboxamide
CID 174414256

Frequently Asked Questions

What is the IUPAC name of 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide (CID 174417531) is 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is NC(=O)c1cccc2c1c1ccc(CO)cc1n2Cc1ccccc1Cc1ccccc1.
What is the InChIKey of 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
The InChIKey is CBBPNEAUKKERDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c29-28(32)24-11-6-12-25-27(24)23-14-13-20(18-31)16-26(23)30(25)17-22-10-5-4-9-21(22)15-19-7-2-1-3-8-19/h1-14,16,31H,15,17-18H2,(H2,29,32).
What are the key properties of 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide?
9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-benzylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide is sourced from PubChem (CID 174417531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).