[4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane

C26H48P2 — CID 22925447

IUPAC[4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane
SMILESCCCC(C)P(c1ccc(P(C(C)CCC)C(C)CCC)cc1)C(C)CCC
InChIInChI=1S/C26H48P2/c1-9-13-21(5)27(22(6)14-10-2)25-17-19-26(20-18-25)28(23(7)15-11-3)24(8)16-12-4/h17-24H,9-16H2,1-8H3
InChIKeyRTRNQTUVPRPTFE-UHFFFAOYSA-N
MW422.62 g/mol
LogP8.66
Rot. Bonds14

About [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane

[4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane (PubChem CID 22925447) has the molecular formula C26H48P2 and a molecular weight of 422.62 g/mol. Its IUPAC name is [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane.

Molecular Properties

Compound Name[4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane
PubChem CID22925447
Molecular FormulaC26H48P2
Molecular Weight422.62 g/mol
Exact Mass422.32
IUPAC Name[4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane
SMILESCCCC(C)P(c1ccc(P(C(C)CCC)C(C)CCC)cc1)C(C)CCC
InChIInChI=1S/C26H48P2/c1-9-13-21(5)27(22(6)14-10-2)25-17-19-26(20-18-25)28(23(7)15-11-3)24(8)16-12-4/h17-24H,9-16H2,1-8H3
InChIKeyRTRNQTUVPRPTFE-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.62
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

di(pentan-2-yl)-phenoxyphosphane
CID 71101650
2-methylpentane
CID 7892
azane;2-methylpentane
CID 18347292
ethane;2-methylpentane
CID 143713716
2-methylpentane;hydroiodide
CID 160726714
azane;2-methylpentane
CID 87098569
pentan-2-yl(triphenyl)phosphanium iodide
CID 161138332
octan-2-yl(diphenyl)phosphane
CID 18359504
methane;2-methylpentane;propane
CID 161026516
2-methylpentane;titanium(4+);tetrachloride
CID 158147790
ethane;methane;bis(2-methylpentane)
CID 142143156
methyl-phenyl-dipropylphosphanium
CID 70584071

Frequently Asked Questions

What is the IUPAC name of [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane?
The IUPAC name of [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane (CID 22925447) is [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane.
What is the SMILES notation for [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane?
The canonical SMILES for [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane is CCCC(C)P(c1ccc(P(C(C)CCC)C(C)CCC)cc1)C(C)CCC.
What is the InChIKey of [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane?
The InChIKey is RTRNQTUVPRPTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48P2/c1-9-13-21(5)27(22(6)14-10-2)25-17-19-26(20-18-25)28(23(7)15-11-3)24(8)16-12-4/h17-24H,9-16H2,1-8H3.
What are the key properties of [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane?
[4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane has a molecular weight of 422.62 g/mol, XLogP of 8.66, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-di(pentan-2-yl)phosphanylphenyl]-di(pentan-2-yl)phosphane is sourced from PubChem (CID 22925447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).