2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide

C21H19N2O3P — CID 175386463

IUPAC2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide
SMILESCOc1cccc(OC)c1-c1ccc2c3ccccc3n(C(N)=O)c2c1P
InChIInChI=1S/C21H19N2O3P/c1-25-16-8-5-9-17(26-2)18(16)14-11-10-13-12-6-3-4-7-15(12)23(21(22)24)19(13)20(14)27/h3-11H,27H2,1-2H3,(H2,22,24)
InChIKeyWTJUEUNTTKACRW-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.91
Rot. Bonds3

About 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide

2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide (PubChem CID 175386463) has the molecular formula C21H19N2O3P and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide
PubChem CID175386463
Molecular FormulaC21H19N2O3P
Molecular Weight378.37 g/mol
Exact Mass378.11
IUPAC Name2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide
SMILESCOc1cccc(OC)c1-c1ccc2c3ccccc3n(C(N)=O)c2c1P
InChIInChI=1S/C21H19N2O3P/c1-25-16-8-5-9-17(26-2)18(16)14-11-10-13-12-6-3-4-7-15(12)23(21(22)24)19(13)20(14)27/h3-11H,27H2,1-2H3,(H2,22,24)
InChIKeyWTJUEUNTTKACRW-UHFFFAOYSA-N
XLogP3.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide?
The IUPAC name of 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide (CID 175386463) is 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide.
What is the SMILES notation for 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide?
The canonical SMILES for 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide is COc1cccc(OC)c1-c1ccc2c3ccccc3n(C(N)=O)c2c1P.
What is the InChIKey of 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide?
The InChIKey is WTJUEUNTTKACRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N2O3P/c1-25-16-8-5-9-17(26-2)18(16)14-11-10-13-12-6-3-4-7-15(12)23(21(22)24)19(13)20(14)27/h3-11H,27H2,1-2H3,(H2,22,24).
What are the key properties of 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide?
2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethoxyphenyl)-1-phosphanylcarbazole-9-carboxamide is sourced from PubChem (CID 175386463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).