bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane

C29H45P — CID 126673786

IUPACbis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane
SMILESCCCc1cc(CCC)c(-c2ccccc2P(CC(C)C)CC(C)C)c(CCC)c1
InChIInChI=1S/C29H45P/c1-8-13-24-18-25(14-9-2)29(26(19-24)15-10-3)27-16-11-12-17-28(27)30(20-22(4)5)21-23(6)7/h11-12,16-19,22-23H,8-10,13-15,20-21H2,1-7H3
InChIKeyHDAGHESBCAYRHR-UHFFFAOYSA-N
MW424.65 g/mol
LogP8.63
Rot. Bonds12

About bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane

bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane (PubChem CID 126673786) has the molecular formula C29H45P and a molecular weight of 424.65 g/mol. Its IUPAC name is bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane.

Molecular Properties

Compound Namebis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane
PubChem CID126673786
Molecular FormulaC29H45P
Molecular Weight424.65 g/mol
Exact Mass424.33
IUPAC Namebis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane
SMILESCCCc1cc(CCC)c(-c2ccccc2P(CC(C)C)CC(C)C)c(CCC)c1
InChIInChI=1S/C29H45P/c1-8-13-24-18-25(14-9-2)29(26(19-24)15-10-3)27-16-11-12-17-28(27)30(20-22(4)5)21-23(6)7/h11-12,16-19,22-23H,8-10,13-15,20-21H2,1-7H3
InChIKeyHDAGHESBCAYRHR-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.65
LogP ≤ 58.63
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 bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane?
The IUPAC name of bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane (CID 126673786) is bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane.
What is the SMILES notation for bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane?
The canonical SMILES for bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane is CCCc1cc(CCC)c(-c2ccccc2P(CC(C)C)CC(C)C)c(CCC)c1.
What is the InChIKey of bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane?
The InChIKey is HDAGHESBCAYRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45P/c1-8-13-24-18-25(14-9-2)29(26(19-24)15-10-3)27-16-11-12-17-28(27)30(20-22(4)5)21-23(6)7/h11-12,16-19,22-23H,8-10,13-15,20-21H2,1-7H3.
What are the key properties of bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane?
bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane has a molecular weight of 424.65 g/mol, XLogP of 8.63, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-[2-(2,4,6-tripropylphenyl)phenyl]phosphane is sourced from PubChem (CID 126673786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).