1,1'-biphenyl;bis(4-diphenylphosphanylphenol)

C48H40O2P2 — CID 172747492

IUPAC1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
SMILESOc1ccc(P(c2ccccc2)c2ccccc2)cc1.Oc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C18H15OP.C12H10/c2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2*1-14,19H;1-10H
InChIKeyJXQMAMXNZXDGJT-UHFFFAOYSA-N
MW710.79 g/mol
LogP9.65
Rot. Bonds7

About 1,1'-biphenyl;bis(4-diphenylphosphanylphenol)

1,1'-biphenyl;bis(4-diphenylphosphanylphenol) (PubChem CID 172747492) has the molecular formula C48H40O2P2 and a molecular weight of 710.79 g/mol. Its IUPAC name is 1,1'-biphenyl;bis(4-diphenylphosphanylphenol).

Molecular Properties

Compound Name1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
PubChem CID172747492
Molecular FormulaC48H40O2P2
Molecular Weight710.79 g/mol
Exact Mass710.25
IUPAC Name1,1'-biphenyl;bis(4-diphenylphosphanylphenol)
SMILESOc1ccc(P(c2ccccc2)c2ccccc2)cc1.Oc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/2C18H15OP.C12H10/c2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2*1-14,19H;1-10H
InChIKeyJXQMAMXNZXDGJT-UHFFFAOYSA-N
XLogP9.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.79
LogP ≤ 59.65
H-Bond Donors ≤ 52
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 1,1'-biphenyl;bis(4-diphenylphosphanylphenol)?
The IUPAC name of 1,1'-biphenyl;bis(4-diphenylphosphanylphenol) (CID 172747492) is 1,1'-biphenyl;bis(4-diphenylphosphanylphenol).
What is the SMILES notation for 1,1'-biphenyl;bis(4-diphenylphosphanylphenol)?
The canonical SMILES for 1,1'-biphenyl;bis(4-diphenylphosphanylphenol) is Oc1ccc(P(c2ccccc2)c2ccccc2)cc1.Oc1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;bis(4-diphenylphosphanylphenol)?
The InChIKey is JXQMAMXNZXDGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15OP.C12H10/c2*19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h2*1-14,19H;1-10H.
What are the key properties of 1,1'-biphenyl;bis(4-diphenylphosphanylphenol)?
1,1'-biphenyl;bis(4-diphenylphosphanylphenol) has a molecular weight of 710.79 g/mol, XLogP of 9.65, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;bis(4-diphenylphosphanylphenol) is sourced from PubChem (CID 172747492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).