dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

C32H35P — CID 11430855

IUPACdicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESc1ccc2c(-c3c(P(C4CCCCC4)C4CCCCC4)ccc4ccccc34)cccc2c1
InChIInChI=1S/C32H35P/c1-3-15-26(16-4-1)33(27-17-5-2-6-18-27)31-23-22-25-13-8-10-20-29(25)32(31)30-21-11-14-24-12-7-9-19-28(24)30/h7-14,19-23,26-27H,1-6,15-18H2
InChIKeyRRFVVYKBDXEFFO-UHFFFAOYSA-N
MW450.61 g/mol
LogP9.43
Rot. Bonds4

About dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane

dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (PubChem CID 11430855) has the molecular formula C32H35P and a molecular weight of 450.61 g/mol. Its IUPAC name is dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
PubChem CID11430855
Molecular FormulaC32H35P
Molecular Weight450.61 g/mol
Exact Mass450.25
IUPAC Namedicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
SMILESc1ccc2c(-c3c(P(C4CCCCC4)C4CCCCC4)ccc4ccccc34)cccc2c1
InChIInChI=1S/C32H35P/c1-3-15-26(16-4-1)33(27-17-5-2-6-18-27)31-23-22-25-13-8-10-20-29(25)32(31)30-21-11-14-24-12-7-9-19-28(24)30/h7-14,19-23,26-27H,1-6,15-18H2
InChIKeyRRFVVYKBDXEFFO-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 59.43
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 dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The IUPAC name of dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane (CID 11430855) is dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane.
What is the SMILES notation for dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The canonical SMILES for dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is c1ccc2c(-c3c(P(C4CCCCC4)C4CCCCC4)ccc4ccccc34)cccc2c1.
What is the InChIKey of dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
The InChIKey is RRFVVYKBDXEFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35P/c1-3-15-26(16-4-1)33(27-17-5-2-6-18-27)31-23-22-25-13-8-10-20-29(25)32(31)30-21-11-14-24-12-7-9-19-28(24)30/h7-14,19-23,26-27H,1-6,15-18H2.
What are the key properties of dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane?
dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane has a molecular weight of 450.61 g/mol, XLogP of 9.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane is sourced from PubChem (CID 11430855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).