1-(2-phenylselanylethynyl)naphthalene

C18H12Se — CID 11522394

IUPAC1-(2-phenylselanylethynyl)naphthalene
SMILESC(#Cc1cccc2ccccc12)[Se]c1ccccc1
InChIInChI=1S/C18H12Se/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-12H
InChIKeyFAXKQNIPRAQAFO-UHFFFAOYSA-N
MW307.25 g/mol
LogP3.18
Rot. Bonds1

About 1-(2-phenylselanylethynyl)naphthalene

1-(2-phenylselanylethynyl)naphthalene (PubChem CID 11522394) has the molecular formula C18H12Se and a molecular weight of 307.25 g/mol. Its IUPAC name is 1-(2-phenylselanylethynyl)naphthalene.

Molecular Properties

Compound Name1-(2-phenylselanylethynyl)naphthalene
PubChem CID11522394
Molecular FormulaC18H12Se
Molecular Weight307.25 g/mol
Exact Mass308.01
IUPAC Name1-(2-phenylselanylethynyl)naphthalene
SMILESC(#Cc1cccc2ccccc12)[Se]c1ccccc1
InChIInChI=1S/C18H12Se/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-12H
InChIKeyFAXKQNIPRAQAFO-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylselanylethynyl)naphthalene?
The IUPAC name of 1-(2-phenylselanylethynyl)naphthalene (CID 11522394) is 1-(2-phenylselanylethynyl)naphthalene.
What is the SMILES notation for 1-(2-phenylselanylethynyl)naphthalene?
The canonical SMILES for 1-(2-phenylselanylethynyl)naphthalene is C(#Cc1cccc2ccccc12)[Se]c1ccccc1.
What is the InChIKey of 1-(2-phenylselanylethynyl)naphthalene?
The InChIKey is FAXKQNIPRAQAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Se/c1-2-10-17(11-3-1)19-14-13-16-9-6-8-15-7-4-5-12-18(15)16/h1-12H.
What are the key properties of 1-(2-phenylselanylethynyl)naphthalene?
1-(2-phenylselanylethynyl)naphthalene has a molecular weight of 307.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylselanylethynyl)naphthalene is sourced from PubChem (CID 11522394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).