oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone

C28H26O2P+ — CID 158212605

IUPACoxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2)c(C)c1.O=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O.C12H10OP/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-10H,1-3H3;1-10H/q;+1
InChIKeyNIBAFDCDFFGGPS-UHFFFAOYSA-N
MW425.49 g/mol
LogP6.31
Rot. Bonds4

About oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone

oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 158212605) has the molecular formula C28H26O2P+ and a molecular weight of 425.49 g/mol. Its IUPAC name is oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Nameoxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
PubChem CID158212605
Molecular FormulaC28H26O2P+
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Nameoxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2ccccc2)c(C)c1.O=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O.C12H10OP/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-10H,1-3H3;1-10H/q;+1
InChIKeyNIBAFDCDFFGGPS-UHFFFAOYSA-N
XLogP6.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 56.31
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

oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
oxo-phenyl-(2,4,6-trimethylbenzoyl)oxyphosphanium
CID 18432056
methanol;oxo(diphenyl)phosphanium
CID 174996285
3-benzoyl-2,4,6-trimethylbenzoic acid
CID 90027498
oxo-phenyl-[3-(2,4,6-trimethylbenzoyl)pentan-3-yl]phosphanium
CID 91323174
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
1,3,5-trimethyl-2-[phenyl(sulfinyl)methyl]benzene
CID 12660448
diphenyl-bis(2,4,6-trimethylbenzoyl)phosphanium
CID 69491265
cadmium;oxo(diphenyl)phosphanium
CID 174925548
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747

Frequently Asked Questions

What is the IUPAC name of oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone (CID 158212605) is oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2ccccc2)c(C)c1.O=[P+](c1ccccc1)c1ccccc1.
What is the InChIKey of oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is NIBAFDCDFFGGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O.C12H10OP/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h4-10H,1-3H3;1-10H/q;+1.
What are the key properties of oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone?
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 425.49 g/mol, XLogP of 6.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 158212605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).