7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide

C28H24N2O — CID 174418413

IUPAC7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3-c3ccccc3)c2c1
InChIInChI=1S/C28H24N2O/c1-2-19-15-16-23-26(17-19)30(25-14-8-13-24(27(23)25)28(29)31)18-21-11-6-7-12-22(21)20-9-4-3-5-10-20/h3-17H,2,18H2,1H3,(H2,29,31)
InChIKeyCFFPRSOVVMEAPZ-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.17
Rot. Bonds5

About 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide

7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide (PubChem CID 174418413) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide.

Molecular Properties

Compound Name7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
PubChem CID174418413
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide
SMILESCCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3-c3ccccc3)c2c1
InChIInChI=1S/C28H24N2O/c1-2-19-15-16-23-26(17-19)30(25-14-8-13-24(27(23)25)28(29)31)18-21-11-6-7-12-22(21)20-9-4-3-5-10-20/h3-17H,2,18H2,1H3,(H2,29,31)
InChIKeyCFFPRSOVVMEAPZ-UHFFFAOYSA-N
XLogP6.17
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide?
The IUPAC name of 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide (CID 174418413) is 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide.
What is the SMILES notation for 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide?
The canonical SMILES for 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide is CCc1ccc2c3c(C(N)=O)cccc3n(Cc3ccccc3-c3ccccc3)c2c1.
What is the InChIKey of 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide?
The InChIKey is CFFPRSOVVMEAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-2-19-15-16-23-26(17-19)30(25-14-8-13-24(27(23)25)28(29)31)18-21-11-6-7-12-22(21)20-9-4-3-5-10-20/h3-17H,2,18H2,1H3,(H2,29,31).
What are the key properties of 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide?
7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-9-[(2-phenylphenyl)methyl]carbazole-4-carboxamide is sourced from PubChem (CID 174418413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).