[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium

C38H31OP2+ — CID 88589569

IUPAC[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H31OP2/c1-41(32-22-10-4-11-23-32,33-24-12-5-13-25-33)37-29-17-15-27-35(37)38(39)34-26-14-16-28-36(34)40(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h2-29H,1H3/q+1
InChIKeyPVVKFTLTWWRVHV-UHFFFAOYSA-N
MW565.61 g/mol
LogP6.60
Rot. Bonds8

About [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium

[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium (PubChem CID 88589569) has the molecular formula C38H31OP2+ and a molecular weight of 565.61 g/mol. Its IUPAC name is [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium.

Molecular Properties

Compound Name[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium
PubChem CID88589569
Molecular FormulaC38H31OP2+
Molecular Weight565.61 g/mol
Exact Mass565.18
IUPAC Name[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1C(=O)c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H31OP2/c1-41(32-22-10-4-11-23-32,33-24-12-5-13-25-33)37-29-17-15-27-35(37)38(39)34-26-14-16-28-36(34)40(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h2-29H,1H3/q+1
InChIKeyPVVKFTLTWWRVHV-UHFFFAOYSA-N
XLogP6.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.61
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-diphenylphosphanylphenyl)-2-methylpropan-1-one
CID 146507667
1-(2-diphenylphosphanylphenyl)propane-1,2-dione;rhodium
CID 175984938
[(3R,4S)-2,4,5-trimethylhex-5-en-3-yl] 2-diphenylphosphanylbenzoate
CID 10550577
bis(2-diphenylphosphanylbenzoic acid);palladium(2+);dichloride
CID 10190846
silver;2-diphenylphosphanyl-N,N-di(propan-2-yl)benzamide;acetate
CID 56949989
(10-diphenylphosphanyl-5,6-dihydrobenzo[b][1]benzoxepin-1-yl)-methyl-diphenylphosphanium
CID 89282822
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium
CID 130383373
[(3S)-2-methylpent-1-en-3-yl] 2-diphenylphosphanylbenzoate
CID 102426255
1-(2-diphenylphosphanylphenyl)-2-phenylethanone
CID 59804946
2-diphenylphosphanyl-N-[2-[(2-diphenylphosphanylbenzoyl)amino]phenyl]benzamide
CID 5242066
acetic acid;triphenylphosphane;hydrochloride
CID 87530977

Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium?
The IUPAC name of [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium (CID 88589569) is [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium.
What is the SMILES notation for [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium?
The canonical SMILES for [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1C(=O)c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium?
The InChIKey is PVVKFTLTWWRVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31OP2/c1-41(32-22-10-4-11-23-32,33-24-12-5-13-25-33)37-29-17-15-27-35(37)38(39)34-26-14-16-28-36(34)40(30-18-6-2-7-19-30)31-20-8-3-9-21-31/h2-29H,1H3/q+1.
What are the key properties of [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium?
[2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium has a molecular weight of 565.61 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanylbenzoyl)phenyl]-methyl-diphenylphosphanium is sourced from PubChem (CID 88589569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).