[2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane

C37H30OP2 — CID 11599269

IUPAC[2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane
SMILESCOc1cccc(P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H30OP2/c1-38-34-26-16-28-36(40(31-21-10-4-11-22-31)32-23-12-5-13-24-32)37(34)33-25-14-15-27-35(33)39(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h2-28H,1H3
InChIKeyBSHMNFFMLQEJRS-UHFFFAOYSA-N
MW552.59 g/mol
LogP6.88
Rot. Bonds8

About [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane

[2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane (PubChem CID 11599269) has the molecular formula C37H30OP2 and a molecular weight of 552.59 g/mol. Its IUPAC name is [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane
PubChem CID11599269
Molecular FormulaC37H30OP2
Molecular Weight552.59 g/mol
Exact Mass552.18
IUPAC Name[2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane
SMILESCOc1cccc(P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H30OP2/c1-38-34-26-16-28-36(40(31-21-10-4-11-22-31)32-23-12-5-13-24-32)37(34)33-25-14-15-27-35(33)39(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h2-28H,1H3
InChIKeyBSHMNFFMLQEJRS-UHFFFAOYSA-N
XLogP6.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.59
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane (CID 11599269) is [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane is COc1cccc(P(c2ccccc2)c2ccccc2)c1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane?
The InChIKey is BSHMNFFMLQEJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30OP2/c1-38-34-26-16-28-36(40(31-21-10-4-11-22-31)32-23-12-5-13-24-32)37(34)33-25-14-15-27-35(33)39(29-17-6-2-7-18-29)30-19-8-3-9-20-30/h2-28H,1H3.
What are the key properties of [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane?
[2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane has a molecular weight of 552.59 g/mol, XLogP of 6.88, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanyl-6-methoxyphenyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 11599269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).