diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium

C32H32O2P+ — CID 69491265

IUPACdiphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](C(=O)c2c(C)cc(C)cc2C)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C32H32O2P/c1-21-17-23(3)29(24(4)18-21)31(33)35(27-13-9-7-10-14-27,28-15-11-8-12-16-28)32(34)30-25(5)19-22(2)20-26(30)6/h7-20H,1-6H3/q+1
InChIKeyLTDBIANPCDPIIH-UHFFFAOYSA-N
MW479.58 g/mol
LogP7.19
Rot. Bonds6

About diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium

diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium (PubChem CID 69491265) has the molecular formula C32H32O2P+ and a molecular weight of 479.58 g/mol. Its IUPAC name is diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium.

Molecular Properties

Compound Namediphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
PubChem CID69491265
Molecular FormulaC32H32O2P+
Molecular Weight479.58 g/mol
Exact Mass479.21
IUPAC Namediphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
SMILESCc1cc(C)c(C(=O)[P+](C(=O)c2c(C)cc(C)cc2C)(c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C32H32O2P/c1-21-17-23(3)29(24(4)18-21)31(33)35(27-13-9-7-10-14-27,28-15-11-8-12-16-28)32(34)30-25(5)19-22(2)20-26(30)6/h7-20H,1-6H3/q+1
InChIKeyLTDBIANPCDPIIH-UHFFFAOYSA-N
XLogP7.19
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 57.19
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

ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
triphenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 156789006
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
diphenylphosphanyl-(2,4,6-trimethylphenyl)methanone
CID 161445922
[phenyl(propan-2-yl)phosphanyl]-(2,4,6-trimethylphenyl)methanone
CID 154266689
[phenyl-(2,4,6-trimethylbenzoyl)phosphanyl]-(2,4,6-trimethylphenyl)methanone;hydrochloride
CID 175227644
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
2,4,6-trimethylbenzoic acid;hydrochloride
CID 69338444
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600

Frequently Asked Questions

What is the IUPAC name of diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium?
The IUPAC name of diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium (CID 69491265) is diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium.
What is the SMILES notation for diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium?
The canonical SMILES for diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium is Cc1cc(C)c(C(=O)[P+](C(=O)c2c(C)cc(C)cc2C)(c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium?
The InChIKey is LTDBIANPCDPIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32O2P/c1-21-17-23(3)29(24(4)18-21)31(33)35(27-13-9-7-10-14-27,28-15-11-8-12-16-28)32(34)30-25(5)19-22(2)20-26(30)6/h7-20H,1-6H3/q+1.
What are the key properties of diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium?
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium has a molecular weight of 479.58 g/mol, XLogP of 7.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium is sourced from PubChem (CID 69491265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).