(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane

C34H26P2 — CID 2756729

IUPAC(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C34H26P2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)32-25-13-15-27-16-14-26-33(34(27)32)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKeyQOXZKPURCFVBRR-UHFFFAOYSA-N
MW496.53 g/mol
LogP6.36
Rot. Bonds6

About (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane

(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane (PubChem CID 2756729) has the molecular formula C34H26P2 and a molecular weight of 496.53 g/mol. Its IUPAC name is (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane.

Molecular Properties

Compound Name(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane
PubChem CID2756729
Molecular FormulaC34H26P2
Molecular Weight496.53 g/mol
Exact Mass496.15
IUPAC Name(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane
SMILESc1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1
InChIInChI=1S/C34H26P2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)32-25-13-15-27-16-14-26-33(34(27)32)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H
InChIKeyQOXZKPURCFVBRR-UHFFFAOYSA-N
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.53
LogP ≤ 56.36
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 (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane?
The IUPAC name of (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane (CID 2756729) is (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane.
What is the SMILES notation for (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane?
The canonical SMILES for (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane is c1ccc(P(c2ccccc2)c2cccc3cccc(P(c4ccccc4)c4ccccc4)c23)cc1.
What is the InChIKey of (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane?
The InChIKey is QOXZKPURCFVBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26P2/c1-5-17-28(18-6-1)35(29-19-7-2-8-20-29)32-25-13-15-27-16-14-26-33(34(27)32)36(30-21-9-3-10-22-30)31-23-11-4-12-24-31/h1-26H.
What are the key properties of (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane?
(8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane has a molecular weight of 496.53 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-diphenylphosphanylnaphthalen-1-yl)-diphenylphosphane is sourced from PubChem (CID 2756729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).