1,5-diphenyl-1,5-diphosphocane

C18H22P2 — CID 14738745

IUPAC1,5-diphenyl-1,5-diphosphocane
SMILESc1ccc(P2CCCP(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H22P2/c1-3-9-17(10-4-1)19-13-7-15-20(16-8-14-19)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKeyGDIQKZBJYRMXLR-UHFFFAOYSA-N
MW300.32 g/mol
LogP4.39
Rot. Bonds2

About 1,5-diphenyl-1,5-diphosphocane

1,5-diphenyl-1,5-diphosphocane (PubChem CID 14738745) has the molecular formula C18H22P2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1,5-diphenyl-1,5-diphosphocane.

Molecular Properties

Compound Name1,5-diphenyl-1,5-diphosphocane
PubChem CID14738745
Molecular FormulaC18H22P2
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name1,5-diphenyl-1,5-diphosphocane
SMILESc1ccc(P2CCCP(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H22P2/c1-3-9-17(10-4-1)19-13-7-15-20(16-8-14-19)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2
InChIKeyGDIQKZBJYRMXLR-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 54.39
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 1,5-diphenyl-1,5-diphosphocane?
The IUPAC name of 1,5-diphenyl-1,5-diphosphocane (CID 14738745) is 1,5-diphenyl-1,5-diphosphocane.
What is the SMILES notation for 1,5-diphenyl-1,5-diphosphocane?
The canonical SMILES for 1,5-diphenyl-1,5-diphosphocane is c1ccc(P2CCCP(c3ccccc3)CCC2)cc1.
What is the InChIKey of 1,5-diphenyl-1,5-diphosphocane?
The InChIKey is GDIQKZBJYRMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22P2/c1-3-9-17(10-4-1)19-13-7-15-20(16-8-14-19)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2.
What are the key properties of 1,5-diphenyl-1,5-diphosphocane?
1,5-diphenyl-1,5-diphosphocane has a molecular weight of 300.32 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-1,5-diphosphocane is sourced from PubChem (CID 14738745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).