2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene

C36H26Se — CID 59156066

IUPAC2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
SMILESC(=C/c1ccc2ccccc2c1)\c1ccc([Se]c2ccc(/C=C/c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C36H26Se/c1-3-7-33-25-29(13-19-31(33)5-1)11-9-27-15-21-35(22-16-27)37-36-23-17-28(18-24-36)10-12-30-14-20-32-6-2-4-8-34(32)26-30/h1-26H/b11-9+,12-10+
InChIKeyDKURUNNQBVOXEZ-WGDLNXRISA-N
MW537.56 g/mol
LogP7.99
Rot. Bonds6

About 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene

2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene (PubChem CID 59156066) has the molecular formula C36H26Se and a molecular weight of 537.56 g/mol. Its IUPAC name is 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
PubChem CID59156066
Molecular FormulaC36H26Se
Molecular Weight537.56 g/mol
Exact Mass538.12
IUPAC Name2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene
SMILESC(=C/c1ccc2ccccc2c1)\c1ccc([Se]c2ccc(/C=C/c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C36H26Se/c1-3-7-33-25-29(13-19-31(33)5-1)11-9-27-15-21-35(22-16-27)37-36-23-17-28(18-24-36)10-12-30-14-20-32-6-2-4-8-34(32)26-30/h1-26H/b11-9+,12-10+
InChIKeyDKURUNNQBVOXEZ-WGDLNXRISA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.56
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene (CID 59156066) is 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene is C(=C/c1ccc2ccccc2c1)\c1ccc([Se]c2ccc(/C=C/c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene?
The InChIKey is DKURUNNQBVOXEZ-WGDLNXRISA-N. The full InChI is InChI=1S/C36H26Se/c1-3-7-33-25-29(13-19-31(33)5-1)11-9-27-15-21-35(22-16-27)37-36-23-17-28(18-24-36)10-12-30-14-20-32-6-2-4-8-34(32)26-30/h1-26H/b11-9+,12-10+.
What are the key properties of 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene?
2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene has a molecular weight of 537.56 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]selanylphenyl]ethenyl]naphthalene is sourced from PubChem (CID 59156066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).