[2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane

C36H28P2 — CID 2734940

IUPAC[2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28P2/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKeyGRTJBNJOHNTQBO-UHFFFAOYSA-N
MW522.57 g/mol
LogP6.87
Rot. Bonds7

About [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane

[2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane (PubChem CID 2734940) has the molecular formula C36H28P2 and a molecular weight of 522.57 g/mol. Its IUPAC name is [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
PubChem CID2734940
Molecular FormulaC36H28P2
Molecular Weight522.57 g/mol
Exact Mass522.17
IUPAC Name[2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H28P2/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H
InChIKeyGRTJBNJOHNTQBO-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.57
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane (CID 2734940) is [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane is c1ccc(P(c2ccccc2)c2ccccc2-c2ccccc2P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
The InChIKey is GRTJBNJOHNTQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28P2/c1-5-17-29(18-6-1)37(30-19-7-2-8-20-30)35-27-15-13-25-33(35)34-26-14-16-28-36(34)38(31-21-9-3-10-22-31)32-23-11-4-12-24-32/h1-28H.
What are the key properties of [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane?
[2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane has a molecular weight of 522.57 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 2734940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).