1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane

C31H34P2 — CID 90111167

IUPAC1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane
SMILESCCC(P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C31H34P2/c1-6-31(32(27-19-11-7-15-23(27)2)28-20-12-8-16-24(28)3)33(29-21-13-9-17-25(29)4)30-22-14-10-18-26(30)5/h7-22,31H,6H2,1-5H3
InChIKeyKPXOBPHLZGZKAR-UHFFFAOYSA-N
MW468.56 g/mol
LogP7.22
Rot. Bonds7

About 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane

1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane (PubChem CID 90111167) has the molecular formula C31H34P2 and a molecular weight of 468.56 g/mol. Its IUPAC name is 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane.

Molecular Properties

Compound Name1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane
PubChem CID90111167
Molecular FormulaC31H34P2
Molecular Weight468.56 g/mol
Exact Mass468.21
IUPAC Name1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane
SMILESCCC(P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C
InChIInChI=1S/C31H34P2/c1-6-31(32(27-19-11-7-15-23(27)2)28-20-12-8-16-24(28)3)33(29-21-13-9-17-25(29)4)30-22-14-10-18-26(30)5/h7-22,31H,6H2,1-5H3
InChIKeyKPXOBPHLZGZKAR-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 57.22
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 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane?
The IUPAC name of 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane (CID 90111167) is 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane.
What is the SMILES notation for 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane?
The canonical SMILES for 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane is CCC(P(c1ccccc1C)c1ccccc1C)P(c1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane?
The InChIKey is KPXOBPHLZGZKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34P2/c1-6-31(32(27-19-11-7-15-23(27)2)28-20-12-8-16-24(28)3)33(29-21-13-9-17-25(29)4)30-22-14-10-18-26(30)5/h7-22,31H,6H2,1-5H3.
What are the key properties of 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane?
1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane has a molecular weight of 468.56 g/mol, XLogP of 7.22, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2-methylphenyl)phosphanylpropyl-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 90111167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).