[4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate

C31H24O7P2 — CID 170068226

IUPAC[4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate
SMILESO=C(c1ccc(OPOc2ccccc2)cc1)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C31H24O7P2/c32-31(24-16-20-27(21-17-24)35-39-34-26-10-4-1-5-11-26)25-18-22-30(23-19-25)38-40(33,36-28-12-6-2-7-13-28)37-29-14-8-3-9-15-29/h1-23,39H
InChIKeyFSMBALSENQZFAN-UHFFFAOYSA-N
MW570.47 g/mol
LogP8.53
Rot. Bonds12

About [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate

[4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate (PubChem CID 170068226) has the molecular formula C31H24O7P2 and a molecular weight of 570.47 g/mol. Its IUPAC name is [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate.

Molecular Properties

Compound Name[4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate
PubChem CID170068226
Molecular FormulaC31H24O7P2
Molecular Weight570.47 g/mol
Exact Mass570.10
IUPAC Name[4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate
SMILESO=C(c1ccc(OPOc2ccccc2)cc1)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C31H24O7P2/c32-31(24-16-20-27(21-17-24)35-39-34-26-10-4-1-5-11-26)25-18-22-30(23-19-25)38-40(33,36-28-12-6-2-7-13-28)37-29-14-8-3-9-15-29/h1-23,39H
InChIKeyFSMBALSENQZFAN-UHFFFAOYSA-N
XLogP8.53
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.47
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate 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

bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
triphenyl phosphate;hydrate
CID 66881958
sodium [4-[(4-benzoylphenoxy)-methylphosphoryl]oxyphenyl]-phenylmethanone
CID 157398737
tris(4-phenoxyphenyl) phosphate
CID 70576220
ethane;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 142280871
[1-(4-methoxybenzoyl)-6-methyl-3,4-dihydronaphthalen-2-yl] diphenyl phosphate
CID 20648494
[4-[(4-benzoylphenoxy)-propylphosphoryl]oxyphenyl]-phenylmethanone
CID 87136573
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
2-methylpropane;triphenyl phosphate
CID 91193965
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
[3,5-bis(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone
CID 11571089

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate?
The IUPAC name of [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate (CID 170068226) is [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate.
What is the SMILES notation for [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate?
The canonical SMILES for [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate is O=C(c1ccc(OPOc2ccccc2)cc1)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate?
The InChIKey is FSMBALSENQZFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24O7P2/c32-31(24-16-20-27(21-17-24)35-39-34-26-10-4-1-5-11-26)25-18-22-30(23-19-25)38-40(33,36-28-12-6-2-7-13-28)37-29-14-8-3-9-15-29/h1-23,39H.
What are the key properties of [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate?
[4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate has a molecular weight of 570.47 g/mol, XLogP of 8.53, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenoxyphosphanyloxybenzoyl)phenyl] diphenyl phosphate is sourced from PubChem (CID 170068226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).