[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C42H41P — CID 164669483

IUPAC[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCCCC/C=C(\CCCC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C42H41P/c1-3-5-9-19-32(18-6-4-2)39-30-28-33-20-14-16-26-37(33)41(39)42-38-27-17-15-21-34(38)29-31-40(42)43(35-22-10-7-11-23-35)36-24-12-8-13-25-36/h7-8,10-17,19-31H,3-6,9,18H2,1-2H3/b32-19+
InChIKeyHBEYKODWWBLCDL-BIZUNTBRSA-N
MW576.76 g/mol
LogP11.18
Rot. Bonds11

About [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 164669483) has the molecular formula C42H41P and a molecular weight of 576.76 g/mol. Its IUPAC name is [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID164669483
Molecular FormulaC42H41P
Molecular Weight576.76 g/mol
Exact Mass576.29
IUPAC Name[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCCCC/C=C(\CCCC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C42H41P/c1-3-5-9-19-32(18-6-4-2)39-30-28-33-20-14-16-26-37(33)41(39)42-38-27-17-15-21-34(38)29-31-40(42)43(35-22-10-7-11-23-35)36-24-12-8-13-25-36/h7-8,10-17,19-31H,3-6,9,18H2,1-2H3/b32-19+
InChIKeyHBEYKODWWBLCDL-BIZUNTBRSA-N
XLogP11.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.76
LogP ≤ 511.18
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'}

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 164669483) is [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is CCCC/C=C(\CCCC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is HBEYKODWWBLCDL-BIZUNTBRSA-N. The full InChI is InChI=1S/C42H41P/c1-3-5-9-19-32(18-6-4-2)39-30-28-33-20-14-16-26-37(33)41(39)42-38-27-17-15-21-34(38)29-31-40(42)43(35-22-10-7-11-23-35)36-24-12-8-13-25-36/h7-8,10-17,19-31H,3-6,9,18H2,1-2H3/b32-19+.
What are the key properties of [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 576.76 g/mol, XLogP of 11.18, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(E)-dec-5-en-5-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 164669483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).