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'}

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Related Compounds

diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
CID 157152357
CID 157152357
1-[bis(aziridin-1-yl)phosphoryl]aziridine;diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone
CID 22373905
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[2,6-dimethyl-4-(sulfanylmethyl)phenyl]-diphenylphosphorylmethanone
CID 88978120
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
diphenylphosphoryl-[4-[[(4-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyldisulfanyl]methyl]-2,6-dimethylphenyl]methanone
CID 146633194
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
(2-diphenylphosphorylcarbonyl-3,5-dimethylphenyl)methyl prop-2-enoate
CID 118231450
diphenylphosphoryl(phenyl)methanone;2-hydroxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethanone
CID 175015018
[(4-methylphenoxy)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 18983511

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).