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

C29H26N2O2 — CID 174418321

IUPAC9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCCc1ccccc1Cn1c2cc(-c3ccc(OC)cc3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C29H26N2O2/c1-3-19-7-4-5-8-22(19)18-31-26-10-6-9-25(29(30)32)28(26)24-16-13-21(17-27(24)31)20-11-14-23(33-2)15-12-20/h4-17H,3,18H2,1-2H3,(H2,30,32)
InChIKeyOXBAAEYFZBXJKU-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.18
Rot. Bonds6

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

9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (PubChem CID 174418321) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
PubChem CID174418321
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
SMILESCCc1ccccc1Cn1c2cc(-c3ccc(OC)cc3)ccc2c2c(C(N)=O)cccc21
InChIInChI=1S/C29H26N2O2/c1-3-19-7-4-5-8-22(19)18-31-26-10-6-9-25(29(30)32)28(26)24-16-13-21(17-27(24)31)20-11-14-23(33-2)15-12-20/h4-17H,3,18H2,1-2H3,(H2,30,32)
InChIKeyOXBAAEYFZBXJKU-UHFFFAOYSA-N
XLogP6.18
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-bromophenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414385
9-[(2-benzoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174414302
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
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
7-(4-chlorophenyl)-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
CID 175233517
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581

Frequently Asked Questions

What is the IUPAC name of 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The IUPAC name of 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide (CID 174418321) is 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide.
What is the SMILES notation for 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The canonical SMILES for 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is CCc1ccccc1Cn1c2cc(-c3ccc(OC)cc3)ccc2c2c(C(N)=O)cccc21.
What is the InChIKey of 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
The InChIKey is OXBAAEYFZBXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-3-19-7-4-5-8-22(19)18-31-26-10-6-9-25(29(30)32)28(26)24-16-13-21(17-27(24)31)20-11-14-23(33-2)15-12-20/h4-17H,3,18H2,1-2H3,(H2,30,32).
What are the key properties of 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide?
9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-ethylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide is sourced from PubChem (CID 174418321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).