bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone

C34H29O2P — CID 162462409

IUPACbis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C34H29O2P/c1-24-22-25(2)33(26(3)23-24)34(35)37(36,31-18-14-29(15-19-31)27-10-6-4-7-11-27)32-20-16-30(17-21-32)28-12-8-5-9-13-28/h4-23H,1-3H3
InChIKeyVRWCUNRXRCRTPV-UHFFFAOYSA-N
MW500.58 g/mol
LogP8.10
Rot. Bonds6

About bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone

bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone (PubChem CID 162462409) has the molecular formula C34H29O2P and a molecular weight of 500.58 g/mol. Its IUPAC name is bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Namebis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
PubChem CID162462409
Molecular FormulaC34H29O2P
Molecular Weight500.58 g/mol
Exact Mass500.19
IUPAC Namebis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C)c1
InChIInChI=1S/C34H29O2P/c1-24-22-25(2)33(26(3)23-24)34(35)37(36,31-18-14-29(15-19-31)27-10-6-4-7-11-27)32-20-16-30(17-21-32)28-12-8-5-9-13-28/h4-23H,1-3H3
InChIKeyVRWCUNRXRCRTPV-UHFFFAOYSA-N
XLogP8.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.58
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone 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 bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone (CID 162462409) is bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)c(C)c1.
What is the InChIKey of bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is VRWCUNRXRCRTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29O2P/c1-24-22-25(2)33(26(3)23-24)34(35)37(36,31-18-14-29(15-19-31)27-10-6-4-7-11-27)32-20-16-30(17-21-32)28-12-8-5-9-13-28/h4-23H,1-3H3.
What are the key properties of bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone?
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 500.58 g/mol, XLogP of 8.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 162462409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).