bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane

C40H39O4P — CID 102412144

IUPACbis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane
SMILESc1ccc(-c2cccc(P(c3ccccc3)c3cccc(-c4ccccc4)c3OC3CCCCO3)c2OC2CCCCO2)cc1
InChIInChI=1S/C40H39O4P/c1-4-16-30(17-5-1)33-22-14-24-35(39(33)43-37-26-10-12-28-41-37)45(32-20-8-3-9-21-32)36-25-15-23-34(31-18-6-2-7-19-31)40(36)44-38-27-11-13-29-42-38/h1-9,14-25,37-38H,10-13,26-29H2
InChIKeyMANVFFZLWLLBPQ-UHFFFAOYSA-N
MW614.72 g/mol
LogP8.59
Rot. Bonds9

About bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane

bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane (PubChem CID 102412144) has the molecular formula C40H39O4P and a molecular weight of 614.72 g/mol. Its IUPAC name is bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane.

Molecular Properties

Compound Namebis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane
PubChem CID102412144
Molecular FormulaC40H39O4P
Molecular Weight614.72 g/mol
Exact Mass614.26
IUPAC Namebis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane
SMILESc1ccc(-c2cccc(P(c3ccccc3)c3cccc(-c4ccccc4)c3OC3CCCCO3)c2OC2CCCCO2)cc1
InChIInChI=1S/C40H39O4P/c1-4-16-30(17-5-1)33-22-14-24-35(39(33)43-37-26-10-12-28-41-37)45(32-20-8-3-9-21-32)36-25-15-23-34(31-18-6-2-7-19-31)40(36)44-38-27-11-13-29-42-38/h1-9,14-25,37-38H,10-13,26-29H2
InChIKeyMANVFFZLWLLBPQ-UHFFFAOYSA-N
XLogP8.59
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.72
LogP ≤ 58.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethyl-6-phenylphenoxy)oxane
CID 159035357
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
dicyclohexyl-[2-(2-methyl-3-phenylphenyl)phenoxy]-[2-[2-(oxan-2-yloxy)-3-phenylphenyl]phenoxy]silane
CID 160674595
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
CID 71336769
3-[2-(oxan-2-yloxy)phenyl]benzamide
CID 139985534
2-phenoxyoxolane
CID 11030163
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
8-hydroxy-7-(oxan-2-yloxy)-4-phenylchromen-2-one
CID 86651374
2-[4-(1,2,2-triphenylethenyl)phenoxy]oxane
CID 11247479
[4-(oxan-2-yloxy)phenyl]-diphenylsilane
CID 174039568

Frequently Asked Questions

What is the IUPAC name of bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane?
The IUPAC name of bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane (CID 102412144) is bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane.
What is the SMILES notation for bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane?
The canonical SMILES for bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane is c1ccc(-c2cccc(P(c3ccccc3)c3cccc(-c4ccccc4)c3OC3CCCCO3)c2OC2CCCCO2)cc1.
What is the InChIKey of bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane?
The InChIKey is MANVFFZLWLLBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39O4P/c1-4-16-30(17-5-1)33-22-14-24-35(39(33)43-37-26-10-12-28-41-37)45(32-20-8-3-9-21-32)36-25-15-23-34(31-18-6-2-7-19-31)40(36)44-38-27-11-13-29-42-38/h1-9,14-25,37-38H,10-13,26-29H2.
What are the key properties of bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane?
bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane has a molecular weight of 614.72 g/mol, XLogP of 8.59, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(oxan-2-yloxy)-3-phenylphenyl]-phenylphosphane is sourced from PubChem (CID 102412144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).