9-bis(4-methylphenyl)phosphorylcarbazole

C26H22NOP — CID 152622332

IUPAC9-bis(4-methylphenyl)phosphorylcarbazole
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C26H22NOP/c1-19-11-15-21(16-12-19)29(28,22-17-13-20(2)14-18-22)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3
InChIKeyZBUASIJOESDYDJ-UHFFFAOYSA-N
MW395.44 g/mol
LogP6.19
Rot. Bonds3

About 9-bis(4-methylphenyl)phosphorylcarbazole

9-bis(4-methylphenyl)phosphorylcarbazole (PubChem CID 152622332) has the molecular formula C26H22NOP and a molecular weight of 395.44 g/mol. Its IUPAC name is 9-bis(4-methylphenyl)phosphorylcarbazole.

Molecular Properties

Compound Name9-bis(4-methylphenyl)phosphorylcarbazole
PubChem CID152622332
Molecular FormulaC26H22NOP
Molecular Weight395.44 g/mol
Exact Mass395.14
IUPAC Name9-bis(4-methylphenyl)phosphorylcarbazole
SMILESCc1ccc(P(=O)(c2ccc(C)cc2)n2c3ccccc3c3ccccc32)cc1
InChIInChI=1S/C26H22NOP/c1-19-11-15-21(16-12-19)29(28,22-17-13-20(2)14-18-22)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3
InChIKeyZBUASIJOESDYDJ-UHFFFAOYSA-N
XLogP6.19
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-bis(4-methylphenyl)phosphorylcarbazole 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 9-bis(4-methylphenyl)phosphorylcarbazole?
The IUPAC name of 9-bis(4-methylphenyl)phosphorylcarbazole (CID 152622332) is 9-bis(4-methylphenyl)phosphorylcarbazole.
What is the SMILES notation for 9-bis(4-methylphenyl)phosphorylcarbazole?
The canonical SMILES for 9-bis(4-methylphenyl)phosphorylcarbazole is Cc1ccc(P(=O)(c2ccc(C)cc2)n2c3ccccc3c3ccccc32)cc1.
What is the InChIKey of 9-bis(4-methylphenyl)phosphorylcarbazole?
The InChIKey is ZBUASIJOESDYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22NOP/c1-19-11-15-21(16-12-19)29(28,22-17-13-20(2)14-18-22)27-25-9-5-3-7-23(25)24-8-4-6-10-26(24)27/h3-18H,1-2H3.
What are the key properties of 9-bis(4-methylphenyl)phosphorylcarbazole?
9-bis(4-methylphenyl)phosphorylcarbazole has a molecular weight of 395.44 g/mol, XLogP of 6.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bis(4-methylphenyl)phosphorylcarbazole is sourced from PubChem (CID 152622332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).