1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane

C39H50P2 — CID 90110540

IUPAC1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane
SMILESCCC(P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C)P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C39H50P2/c1-14-39(40(35-19-15-23(2)27(6)31(35)10)36-20-16-24(3)28(7)32(36)11)41(37-21-17-25(4)29(8)33(37)12)38-22-18-26(5)30(9)34(38)13/h15-22,39H,14H2,1-13H3
InChIKeyUIQSDJGRUZHVDV-UHFFFAOYSA-N
MW580.78 g/mol
LogP9.69
Rot. Bonds7

About 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane

1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane (PubChem CID 90110540) has the molecular formula C39H50P2 and a molecular weight of 580.78 g/mol. Its IUPAC name is 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Name1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane
PubChem CID90110540
Molecular FormulaC39H50P2
Molecular Weight580.78 g/mol
Exact Mass580.34
IUPAC Name1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane
SMILESCCC(P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C)P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C
InChIInChI=1S/C39H50P2/c1-14-39(40(35-19-15-23(2)27(6)31(35)10)36-20-16-24(3)28(7)32(36)11)41(37-21-17-25(4)29(8)33(37)12)38-22-18-26(5)30(9)34(38)13/h15-22,39H,14H2,1-13H3
InChIKeyUIQSDJGRUZHVDV-UHFFFAOYSA-N
XLogP9.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.78
LogP ≤ 59.69
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(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane (CID 90110540) is 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane is CCC(P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C)P(c1ccc(C)c(C)c1C)c1ccc(C)c(C)c1C.
What is the InChIKey of 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane?
The InChIKey is UIQSDJGRUZHVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H50P2/c1-14-39(40(35-19-15-23(2)27(6)31(35)10)36-20-16-24(3)28(7)32(36)11)41(37-21-17-25(4)29(8)33(37)12)38-22-18-26(5)30(9)34(38)13/h15-22,39H,14H2,1-13H3.
What are the key properties of 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane?
1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane has a molecular weight of 580.78 g/mol, XLogP of 9.69, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2,3,4-trimethylphenyl)phosphanylpropyl-bis(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 90110540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).