[2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane

C40H36O4P2 — CID 18706016

IUPAC[2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C40H36O4P2/c1-41-29-25-35(43-3)39(37(27-29)45(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40-36(44-4)26-30(42-2)28-38(40)46(33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3
InChIKeyYSQIPQZYSQJPNL-UHFFFAOYSA-N
MW642.67 g/mol
LogP6.90
Rot. Bonds11

About [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane

[2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane (PubChem CID 18706016) has the molecular formula C40H36O4P2 and a molecular weight of 642.67 g/mol. Its IUPAC name is [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane
PubChem CID18706016
Molecular FormulaC40H36O4P2
Molecular Weight642.67 g/mol
Exact Mass642.21
IUPAC Name[2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane
SMILESCOc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C40H36O4P2/c1-41-29-25-35(43-3)39(37(27-29)45(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40-36(44-4)26-30(42-2)28-38(40)46(33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3
InChIKeyYSQIPQZYSQJPNL-UHFFFAOYSA-N
XLogP6.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.67
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane?
The IUPAC name of [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane (CID 18706016) is [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane?
The canonical SMILES for [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane is COc1cc(OC)c(-c2c(OC)cc(OC)cc2P(c2ccccc2)c2ccccc2)c(P(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane?
The InChIKey is YSQIPQZYSQJPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O4P2/c1-41-29-25-35(43-3)39(37(27-29)45(31-17-9-5-10-18-31)32-19-11-6-12-20-32)40-36(44-4)26-30(42-2)28-38(40)46(33-21-13-7-14-22-33)34-23-15-8-16-24-34/h5-28H,1-4H3.
What are the key properties of [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane?
[2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane has a molecular weight of 642.67 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-diphenylphosphanyl-4,6-dimethoxyphenyl)-3,5-dimethoxyphenyl]-diphenylphosphane is sourced from PubChem (CID 18706016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).