9-phosphanylheptacosan-9-ylphosphane

C27H58P2 — CID 174586813

IUPAC9-phosphanylheptacosan-9-ylphosphane
SMILESCCCCCCCCCCCCCCCCCCC(P)(P)CCCCCCCC
InChIInChI=1S/C27H58P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-27(28,29)25-23-21-10-8-6-4-2/h3-26,28-29H2,1-2H3
InChIKeyVUJMPEWGVQJVOI-UHFFFAOYSA-N
MW444.71 g/mol
LogP10.84
Rot. Bonds24

About 9-phosphanylheptacosan-9-ylphosphane

9-phosphanylheptacosan-9-ylphosphane (PubChem CID 174586813) has the molecular formula C27H58P2 and a molecular weight of 444.71 g/mol. Its IUPAC name is 9-phosphanylheptacosan-9-ylphosphane.

Molecular Properties

Compound Name9-phosphanylheptacosan-9-ylphosphane
PubChem CID174586813
Molecular FormulaC27H58P2
Molecular Weight444.71 g/mol
Exact Mass444.40
IUPAC Name9-phosphanylheptacosan-9-ylphosphane
SMILESCCCCCCCCCCCCCCCCCCC(P)(P)CCCCCCCC
InChIInChI=1S/C27H58P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-27(28,29)25-23-21-10-8-6-4-2/h3-26,28-29H2,1-2H3
InChIKeyVUJMPEWGVQJVOI-UHFFFAOYSA-N
XLogP10.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.71
LogP ≤ 510.84
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 9-phosphanylheptacosan-9-ylphosphane with MolForge

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

Launch Full Analysis

Related Compounds

12-undecyltricosan-12-ylphosphane
CID 21324491
7-butyltridecan-7-ylphosphane
CID 118892798
12-undecyltricosan-12-ylphosphane;hydrate
CID 173445625
13-dodecylpentacosan-13-ylphosphane;hydroiodide
CID 173401812
7-hexyltridecan-7-ylphosphane;hydrobromide
CID 173158553
19-hexadecyl-19-nonylnonatriacontane
CID 90913331
6,6-dipentylpentadecane
CID 152650171
9,9-dioctyloctadecane
CID 19690418
8-hexyl-8-pentylhexadecane
CID 521602
silane;1,1,1-triiodooctadecane
CID 173345600
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700
calcium;hydride;octane
CID 173403164

Frequently Asked Questions

What is the IUPAC name of 9-phosphanylheptacosan-9-ylphosphane?
The IUPAC name of 9-phosphanylheptacosan-9-ylphosphane (CID 174586813) is 9-phosphanylheptacosan-9-ylphosphane.
What is the SMILES notation for 9-phosphanylheptacosan-9-ylphosphane?
The canonical SMILES for 9-phosphanylheptacosan-9-ylphosphane is CCCCCCCCCCCCCCCCCCC(P)(P)CCCCCCCC.
What is the InChIKey of 9-phosphanylheptacosan-9-ylphosphane?
The InChIKey is VUJMPEWGVQJVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58P2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-27(28,29)25-23-21-10-8-6-4-2/h3-26,28-29H2,1-2H3.
What are the key properties of 9-phosphanylheptacosan-9-ylphosphane?
9-phosphanylheptacosan-9-ylphosphane has a molecular weight of 444.71 g/mol, XLogP of 10.84, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phosphanylheptacosan-9-ylphosphane is sourced from PubChem (CID 174586813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).