9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide

C28H24N2O — CID 175235829

IUPAC9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(-c4ccccc4)ccc3c3c(C(N)=O)cccc32)c(C)c1
InChIInChI=1S/C28H24N2O/c1-18-11-12-22(19(2)15-18)17-30-25-10-6-9-24(28(29)31)27(25)23-14-13-21(16-26(23)30)20-7-4-3-5-8-20/h3-16H,17H2,1-2H3,(H2,29,31)
InChIKeyFYNZIRCOZLZXBV-UHFFFAOYSA-N
MW404.51 g/mol
LogP6.23
Rot. Bonds4

About 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide

9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide (PubChem CID 175235829) has the molecular formula C28H24N2O and a molecular weight of 404.51 g/mol. Its IUPAC name is 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide.

Molecular Properties

Compound Name9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
PubChem CID175235829
Molecular FormulaC28H24N2O
Molecular Weight404.51 g/mol
Exact Mass404.19
IUPAC Name9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
SMILESCc1ccc(Cn2c3cc(-c4ccccc4)ccc3c3c(C(N)=O)cccc32)c(C)c1
InChIInChI=1S/C28H24N2O/c1-18-11-12-22(19(2)15-18)17-30-25-10-6-9-24(28(29)31)27(25)23-14-13-21(16-26(23)30)20-7-4-3-5-8-20/h3-16H,17H2,1-2H3,(H2,29,31)
InChIKeyFYNZIRCOZLZXBV-UHFFFAOYSA-N
XLogP6.23
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The IUPAC name of 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide (CID 175235829) is 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide.
What is the SMILES notation for 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The canonical SMILES for 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide is Cc1ccc(Cn2c3cc(-c4ccccc4)ccc3c3c(C(N)=O)cccc32)c(C)c1.
What is the InChIKey of 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
The InChIKey is FYNZIRCOZLZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O/c1-18-11-12-22(19(2)15-18)17-30-25-10-6-9-24(28(29)31)27(25)23-14-13-21(16-26(23)30)20-7-4-3-5-8-20/h3-16H,17H2,1-2H3,(H2,29,31).
What are the key properties of 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide?
9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2,4-dimethylphenyl)methyl]-7-phenylcarbazole-4-carboxamide is sourced from PubChem (CID 175235829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).