(3-diphenoxyphosphanylphenoxy)-diphenylphosphane

C30H24O3P2 — CID 87862349

IUPAC(3-diphenoxyphosphanylphenoxy)-diphenylphosphane
SMILESc1ccc(OP(Oc2ccccc2)c2cccc(OP(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H24O3P2/c1-5-14-25(15-6-1)32-35(33-26-16-7-2-8-17-26)30-23-13-18-27(24-30)31-34(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H
InChIKeyBWWALXXVHGSXAE-UHFFFAOYSA-N
MW494.47 g/mol
LogP7.21
Rot. Bonds9

About (3-diphenoxyphosphanylphenoxy)-diphenylphosphane

(3-diphenoxyphosphanylphenoxy)-diphenylphosphane (PubChem CID 87862349) has the molecular formula C30H24O3P2 and a molecular weight of 494.47 g/mol. Its IUPAC name is (3-diphenoxyphosphanylphenoxy)-diphenylphosphane.

Molecular Properties

Compound Name(3-diphenoxyphosphanylphenoxy)-diphenylphosphane
PubChem CID87862349
Molecular FormulaC30H24O3P2
Molecular Weight494.47 g/mol
Exact Mass494.12
IUPAC Name(3-diphenoxyphosphanylphenoxy)-diphenylphosphane
SMILESc1ccc(OP(Oc2ccccc2)c2cccc(OP(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C30H24O3P2/c1-5-14-25(15-6-1)32-35(33-26-16-7-2-8-17-26)30-23-13-18-27(24-30)31-34(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H
InChIKeyBWWALXXVHGSXAE-UHFFFAOYSA-N
XLogP7.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.47
LogP ≤ 57.21
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
Tetraphenoxysilane
CID 70896
(4-Diphenoxyphosphoryloxyphenyl) diphenyl phosphate
CID 6611235
Phenyl P,P-diphenylphosphinate
CID 15566
2-(Triphenylphosphoranyl)-1,4-benzenediol
CID 430481
Methyltriphenoxyphosphonium iodide
CID 2735090
(T-4)-Tetrakis(triphenyl phosphite-kappaP)nickel
CID 11979965

Frequently Asked Questions

What is the IUPAC name of (3-diphenoxyphosphanylphenoxy)-diphenylphosphane?
The IUPAC name of (3-diphenoxyphosphanylphenoxy)-diphenylphosphane (CID 87862349) is (3-diphenoxyphosphanylphenoxy)-diphenylphosphane.
What is the SMILES notation for (3-diphenoxyphosphanylphenoxy)-diphenylphosphane?
The canonical SMILES for (3-diphenoxyphosphanylphenoxy)-diphenylphosphane is c1ccc(OP(Oc2ccccc2)c2cccc(OP(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of (3-diphenoxyphosphanylphenoxy)-diphenylphosphane?
The InChIKey is BWWALXXVHGSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O3P2/c1-5-14-25(15-6-1)32-35(33-26-16-7-2-8-17-26)30-23-13-18-27(24-30)31-34(28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-24H.
What are the key properties of (3-diphenoxyphosphanylphenoxy)-diphenylphosphane?
(3-diphenoxyphosphanylphenoxy)-diphenylphosphane has a molecular weight of 494.47 g/mol, XLogP of 7.21, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diphenoxyphosphanylphenoxy)-diphenylphosphane is sourced from PubChem (CID 87862349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).