bis(triphosphanyl)phosphane;heptane

C7H25P7 — CID 158852298

IUPACbis(triphosphanyl)phosphane;heptane
SMILESCCCCCCC.PPPPPPP
InChIInChI=1S/C7H16.H9P7/c2*1-3-5-7-6-4-2/h3-7H2,1-2H3;3-7H,1-2H2
InChIKeyIZPMWNPLTWADCM-UHFFFAOYSA-N
MW326.10 g/mol
LogP6.60
Rot. Bonds8

About bis(triphosphanyl)phosphane;heptane

bis(triphosphanyl)phosphane;heptane (PubChem CID 158852298) has the molecular formula C7H25P7 and a molecular weight of 326.10 g/mol. Its IUPAC name is bis(triphosphanyl)phosphane;heptane.

Molecular Properties

Compound Namebis(triphosphanyl)phosphane;heptane
PubChem CID158852298
Molecular FormulaC7H25P7
Molecular Weight326.10 g/mol
Exact Mass326.01
IUPAC Namebis(triphosphanyl)phosphane;heptane
SMILESCCCCCCC.PPPPPPP
InChIInChI=1S/C7H16.H9P7/c2*1-3-5-7-6-4-2/h3-7H2,1-2H3;3-7H,1-2H2
InChIKeyIZPMWNPLTWADCM-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.10
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis(triphosphanyl)phosphane;heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(triphosphanyl)phosphane;heptane?
The IUPAC name of bis(triphosphanyl)phosphane;heptane (CID 158852298) is bis(triphosphanyl)phosphane;heptane.
What is the SMILES notation for bis(triphosphanyl)phosphane;heptane?
The canonical SMILES for bis(triphosphanyl)phosphane;heptane is CCCCCCC.PPPPPPP.
What is the InChIKey of bis(triphosphanyl)phosphane;heptane?
The InChIKey is IZPMWNPLTWADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.H9P7/c2*1-3-5-7-6-4-2/h3-7H2,1-2H3;3-7H,1-2H2.
What are the key properties of bis(triphosphanyl)phosphane;heptane?
bis(triphosphanyl)phosphane;heptane has a molecular weight of 326.10 g/mol, XLogP of 6.60, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(triphosphanyl)phosphane;heptane is sourced from PubChem (CID 158852298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).