1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane

C38H34O3P2 — CID 144799075

IUPAC1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
SMILESCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28O3P2.C2H6/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2/h1-28H;1-2H3
InChIKeyQFHZQEAHOWQECW-UHFFFAOYSA-N
MW600.64 g/mol
LogP7.78
Rot. Bonds8

About 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane

1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane (PubChem CID 144799075) has the molecular formula C38H34O3P2 and a molecular weight of 600.64 g/mol. Its IUPAC name is 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane.

Molecular Properties

Compound Name1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
PubChem CID144799075
Molecular FormulaC38H34O3P2
Molecular Weight600.64 g/mol
Exact Mass600.20
IUPAC Name1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
SMILESCC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H28O3P2.C2H6/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2/h1-28H;1-2H3
InChIKeyQFHZQEAHOWQECW-UHFFFAOYSA-N
XLogP7.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.64
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-diphenylphosphorylphenoxy)phenyl]-hydroxy-diphenylphosphanium
CID 163566769
1-[2,4-bis(diphenylphosphoryl)phenoxy]-2,4-bis(diphenylphosphoryl)benzene
CID 132556763
1-[cyclohexa-1,5-dien-1-yl(phenyl)phosphoryl]-2-(2-diphenylphosphorylphenoxy)benzene
CID 155112169
2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine
CID 10748478
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
1,2,3,4-tetradeuterio-5-diphenylphosphoryl-6-(2,3,4,5-tetradeuterio-6-diphenylphosphorylphenoxy)benzene
CID 166047124
2-diphenylphosphorylphenol
CID 626229
1-diphenylphosphoryl-2,4-bis(4-methylphenoxy)benzene
CID 20750497
diphenylphosphorylbenzene;terbium
CID 86595283
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
CID 15910881
[2-[(2-acetamidophenyl)-phenylphosphoryl]phenyl] acetate
CID 3502851

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane?
The IUPAC name of 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane (CID 144799075) is 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane.
What is the SMILES notation for 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane?
The canonical SMILES for 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane is CC.O=P(c1ccccc1)(c1ccccc1)c1ccccc1Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane?
The InChIKey is QFHZQEAHOWQECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28O3P2.C2H6/c37-40(29-17-5-1-6-18-29,30-19-7-2-8-20-30)35-27-15-13-25-33(35)39-34-26-14-16-28-36(34)41(38,31-21-9-3-10-22-31)32-23-11-4-12-24-32;1-2/h1-28H;1-2H3.
What are the key properties of 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane?
1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane has a molecular weight of 600.64 g/mol, XLogP of 7.78, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane is sourced from PubChem (CID 144799075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).