diphenylphosphane;1-naphthalen-1-ylnaphthalene

C32H25P — CID 69376174

IUPACdiphenylphosphane;1-naphthalen-1-ylnaphthalene
SMILESc1ccc(Pc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.C12H11P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-14H;1-10,13H
InChIKeyCXQRZKIIGJLWPJ-UHFFFAOYSA-N
MW440.53 g/mol
LogP7.98
Rot. Bonds3

About diphenylphosphane;1-naphthalen-1-ylnaphthalene

diphenylphosphane;1-naphthalen-1-ylnaphthalene (PubChem CID 69376174) has the molecular formula C32H25P and a molecular weight of 440.53 g/mol. Its IUPAC name is diphenylphosphane;1-naphthalen-1-ylnaphthalene.

Molecular Properties

Compound Namediphenylphosphane;1-naphthalen-1-ylnaphthalene
PubChem CID69376174
Molecular FormulaC32H25P
Molecular Weight440.53 g/mol
Exact Mass440.17
IUPAC Namediphenylphosphane;1-naphthalen-1-ylnaphthalene
SMILESc1ccc(Pc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1
InChIInChI=1S/C20H14.C12H11P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-14H;1-10,13H
InChIKeyCXQRZKIIGJLWPJ-UHFFFAOYSA-N
XLogP7.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.53
LogP ≤ 57.98
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 diphenylphosphane;1-naphthalen-1-ylnaphthalene?
The IUPAC name of diphenylphosphane;1-naphthalen-1-ylnaphthalene (CID 69376174) is diphenylphosphane;1-naphthalen-1-ylnaphthalene.
What is the SMILES notation for diphenylphosphane;1-naphthalen-1-ylnaphthalene?
The canonical SMILES for diphenylphosphane;1-naphthalen-1-ylnaphthalene is c1ccc(Pc2ccccc2)cc1.c1ccc2c(-c3cccc4ccccc34)cccc2c1.
What is the InChIKey of diphenylphosphane;1-naphthalen-1-ylnaphthalene?
The InChIKey is CXQRZKIIGJLWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14.C12H11P/c1-3-11-17-15(7-1)9-5-13-19(17)20-14-6-10-16-8-2-4-12-18(16)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-14H;1-10,13H.
What are the key properties of diphenylphosphane;1-naphthalen-1-ylnaphthalene?
diphenylphosphane;1-naphthalen-1-ylnaphthalene has a molecular weight of 440.53 g/mol, XLogP of 7.98, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphane;1-naphthalen-1-ylnaphthalene is sourced from PubChem (CID 69376174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).