[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

C38H33P — CID 164669467

IUPAC[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCC/C=C(\CC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C38H33P/c1-3-15-28(4-2)35-26-24-29-16-11-13-22-33(29)37(35)38-34-23-14-12-17-30(34)25-27-36(38)39(31-18-7-5-8-19-31)32-20-9-6-10-21-32/h5-27H,3-4H2,1-2H3/b28-15+
InChIKeyFWBYHXXPXLIRLH-RWPZCVJISA-N
MW520.66 g/mol
LogP9.62
Rot. Bonds7

About [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane

[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (PubChem CID 164669467) has the molecular formula C38H33P and a molecular weight of 520.66 g/mol. Its IUPAC name is [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.

Molecular Properties

Compound Name[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
PubChem CID164669467
Molecular FormulaC38H33P
Molecular Weight520.66 g/mol
Exact Mass520.23
IUPAC Name[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane
SMILESCC/C=C(\CC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12
InChIInChI=1S/C38H33P/c1-3-15-28(4-2)35-26-24-29-16-11-13-22-33(29)37(35)38-34-23-14-12-17-30(34)25-27-36(38)39(31-18-7-5-8-19-31)32-20-9-6-10-21-32/h5-27H,3-4H2,1-2H3/b28-15+
InChIKeyFWBYHXXPXLIRLH-RWPZCVJISA-N
XLogP9.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.66
LogP ≤ 59.62
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-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The IUPAC name of [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane (CID 164669467) is [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane.
What is the SMILES notation for [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The canonical SMILES for [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is CC/C=C(\CC)c1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12.
What is the InChIKey of [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
The InChIKey is FWBYHXXPXLIRLH-RWPZCVJISA-N. The full InChI is InChI=1S/C38H33P/c1-3-15-28(4-2)35-26-24-29-16-11-13-22-33(29)37(35)38-34-23-14-12-17-30(34)25-27-36(38)39(31-18-7-5-8-19-31)32-20-9-6-10-21-32/h5-27H,3-4H2,1-2H3/b28-15+.
What are the key properties of [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane?
[1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane has a molecular weight of 520.66 g/mol, XLogP of 9.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(E)-hex-3-en-3-yl]naphthalen-1-yl]naphthalen-2-yl]-diphenylphosphane is sourced from PubChem (CID 164669467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).