(3-diphenylphosphanyloxyphenoxy)-diphenylphosphane

C30H24O2P2 — CID 11169966

IUPAC(3-diphenylphosphanyloxyphenoxy)-diphenylphosphane
SMILESc1ccc(P(Oc2cccc(OP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C30H24O2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H
InChIKeyPFCIJALLGNUKRS-UHFFFAOYSA-N
MW478.47 g/mol
LogP6.54
Rot. Bonds8

About (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane

(3-diphenylphosphanyloxyphenoxy)-diphenylphosphane (PubChem CID 11169966) has the molecular formula C30H24O2P2 and a molecular weight of 478.47 g/mol. Its IUPAC name is (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane.

Molecular Properties

Compound Name(3-diphenylphosphanyloxyphenoxy)-diphenylphosphane
PubChem CID11169966
Molecular FormulaC30H24O2P2
Molecular Weight478.47 g/mol
Exact Mass478.13
IUPAC Name(3-diphenylphosphanyloxyphenoxy)-diphenylphosphane
SMILESc1ccc(P(Oc2cccc(OP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1
InChIInChI=1S/C30H24O2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H
InChIKeyPFCIJALLGNUKRS-UHFFFAOYSA-N
XLogP6.54
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane?
The IUPAC name of (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane (CID 11169966) is (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane.
What is the SMILES notation for (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane?
The canonical SMILES for (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane is c1ccc(P(Oc2cccc(OP(c3ccccc3)c3ccccc3)c2)c2ccccc2)cc1.
What is the InChIKey of (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane?
The InChIKey is PFCIJALLGNUKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O2P2/c1-5-16-27(17-6-1)33(28-18-7-2-8-19-28)31-25-14-13-15-26(24-25)32-34(29-20-9-3-10-21-29)30-22-11-4-12-23-30/h1-24H.
What are the key properties of (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane?
(3-diphenylphosphanyloxyphenoxy)-diphenylphosphane has a molecular weight of 478.47 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenylphosphanyloxyphenoxy)-diphenylphosphane is sourced from PubChem (CID 11169966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).