dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate

C30H30O7P2 — CID 10053627

IUPACdibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate
SMILESC=C(OP(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H30O7P2/c1-26(38(31,33-22-27-14-6-2-7-15-27)34-23-28-16-8-3-9-17-28)37-39(32,35-24-29-18-10-4-11-19-29)36-25-30-20-12-5-13-21-30/h2-21H,1,22-25H2
InChIKeyUCUYOLJDDXLEQI-UHFFFAOYSA-N
MW564.51 g/mol
LogP8.64
Rot. Bonds15

About dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate

dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate (PubChem CID 10053627) has the molecular formula C30H30O7P2 and a molecular weight of 564.51 g/mol. Its IUPAC name is dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate.

Molecular Properties

Compound Namedibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate
PubChem CID10053627
Molecular FormulaC30H30O7P2
Molecular Weight564.51 g/mol
Exact Mass564.15
IUPAC Namedibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate
SMILESC=C(OP(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H30O7P2/c1-26(38(31,33-22-27-14-6-2-7-15-27)34-23-28-16-8-3-9-17-28)37-39(32,35-24-29-18-10-4-11-19-29)36-25-30-20-12-5-13-21-30/h2-21H,1,22-25H2
InChIKeyUCUYOLJDDXLEQI-UHFFFAOYSA-N
XLogP8.64
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.51
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Dibenzyl phosphate
CID 74189
Tribenzyl phosphate
CID 74359
Tetrabenzyl orthosilicate
CID 78139
Dicyclohexyl (hydroxy(phenyl)methyl)phosphonate
CID 3493139
sodium bis[(2E,10Z)-2-tricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,10,12,14-octaenyl] phosphate
CID 148466990
Benzyl diphenylphosphinate
CID 298803
Tetrabenzyl pyrophosphate
CID 563183
Dibenzyl phosphite
CID 6334615
1-Ethoxy-3-phenyl-4-(2-phenylethynyl)-2,1lambda5-benzoxaphosphinine 1-oxide
CID 12988806
Benzyl dibutyl phosphate
CID 21712021
[Dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate
CID 10193340
Barium dibenzylphosphate
CID 201600

Frequently Asked Questions

What is the IUPAC name of dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate?
The IUPAC name of dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate (CID 10053627) is dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate.
What is the SMILES notation for dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate?
The canonical SMILES for dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate is C=C(OP(=O)(OCc1ccccc1)OCc1ccccc1)P(=O)(OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate?
The InChIKey is UCUYOLJDDXLEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30O7P2/c1-26(38(31,33-22-27-14-6-2-7-15-27)34-23-28-16-8-3-9-17-28)37-39(32,35-24-29-18-10-4-11-19-29)36-25-30-20-12-5-13-21-30/h2-21H,1,22-25H2.
What are the key properties of dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate?
dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate has a molecular weight of 564.51 g/mol, XLogP of 8.64, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzyl 1-bis(phenylmethoxy)phosphorylethenyl phosphate is sourced from PubChem (CID 10053627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).