(2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane

C30H24O2P2S — CID 634064

IUPAC(2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
SMILESO=P(Oc1ccccc1P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O2P2S/c31-34(27-19-9-3-10-20-27,28-21-11-4-12-22-28)32-29-23-13-14-24-30(29)33(35,25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24H
InChIKeyCRHZPZXOYSOMPI-UHFFFAOYSA-N
MW510.54 g/mol
LogP5.75
Rot. Bonds7

About (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane

(2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane (PubChem CID 634064) has the molecular formula C30H24O2P2S and a molecular weight of 510.54 g/mol. Its IUPAC name is (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Name(2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
PubChem CID634064
Molecular FormulaC30H24O2P2S
Molecular Weight510.54 g/mol
Exact Mass510.10
IUPAC Name(2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane
SMILESO=P(Oc1ccccc1P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H24O2P2S/c31-34(27-19-9-3-10-20-27,28-21-11-4-12-22-28)32-29-23-13-14-24-30(29)33(35,25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24H
InChIKeyCRHZPZXOYSOMPI-UHFFFAOYSA-N
XLogP5.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.54
LogP ≤ 55.75
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

Triphenyl Phosphate
CID 8289
Triphenyl phosphite
CID 7540
Hexaphenoxycyclotriphosphazene
CID 136917
O,O,O-Triphenyl phosphorothioate
CID 69011
Phosphoric acid, P,P'-1,3-phenylene P,P,P',P'-tetraphenyl ester
CID 93311
Diphenyl P-phenylphosphonate
CID 76448
(4-Diphenoxyphosphoryloxyphenyl) diphenyl phosphate
CID 6611235
Phenyl P,P-diphenylphosphinate
CID 15566
Methyltriphenoxyphosphonium iodide
CID 2735090
Pentafluorophenyl diphenylphosphinate
CID 4652311
(T-4)-Tetrakis(triphenyl phosphite-kappaP)nickel
CID 11979965
[2-(Diphenylphosphoroso)phenoxy]phosphonic acid
CID 5091579

Frequently Asked Questions

What is the IUPAC name of (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
The IUPAC name of (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane (CID 634064) is (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
The canonical SMILES for (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane is O=P(Oc1ccccc1P(=S)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
The InChIKey is CRHZPZXOYSOMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2P2S/c31-34(27-19-9-3-10-20-27,28-21-11-4-12-22-28)32-29-23-13-14-24-30(29)33(35,25-15-5-1-6-16-25)26-17-7-2-8-18-26/h1-24H.
What are the key properties of (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane?
(2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane has a molecular weight of 510.54 g/mol, XLogP of 5.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-diphenylphosphoryloxyphenyl)-diphenyl-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 634064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).