2-bromo-6-(2-phenylethynyl)naphthalene

C18H11Br — CID 10852232

IUPAC2-bromo-6-(2-phenylethynyl)naphthalene
SMILESBrc1ccc2cc(C#Cc3ccccc3)ccc2c1
InChIInChI=1S/C18H11Br/c19-18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-5,8-13H
InChIKeyIDLZORVBLLZDIN-UHFFFAOYSA-N
MW307.19 g/mol
LogP5.00
Rot. Bonds

About 2-bromo-6-(2-phenylethynyl)naphthalene

2-bromo-6-(2-phenylethynyl)naphthalene (PubChem CID 10852232) has the molecular formula C18H11Br and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-bromo-6-(2-phenylethynyl)naphthalene.

Molecular Properties

Compound Name2-bromo-6-(2-phenylethynyl)naphthalene
PubChem CID10852232
Molecular FormulaC18H11Br
Molecular Weight307.19 g/mol
Exact Mass306.00
IUPAC Name2-bromo-6-(2-phenylethynyl)naphthalene
SMILESBrc1ccc2cc(C#Cc3ccccc3)ccc2c1
InChIInChI=1S/C18H11Br/c19-18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-5,8-13H
InChIKeyIDLZORVBLLZDIN-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.19
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Bromonaphthalene
CID 11372
9,10-Dibromoanthracene
CID 68226
6-Bromobenzo(a)pyrene
CID 30545
9-Bromomethylanthracene
CID 17019
9-Bromophenanthrene
CID 11309
9-Bromoanthracene
CID 74062
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
1-Bromopyrene
CID 159627
9-Bromo-10-phenyl-anthracene
CID 4155836

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-phenylethynyl)naphthalene?
The IUPAC name of 2-bromo-6-(2-phenylethynyl)naphthalene (CID 10852232) is 2-bromo-6-(2-phenylethynyl)naphthalene.
What is the SMILES notation for 2-bromo-6-(2-phenylethynyl)naphthalene?
The canonical SMILES for 2-bromo-6-(2-phenylethynyl)naphthalene is Brc1ccc2cc(C#Cc3ccccc3)ccc2c1.
What is the InChIKey of 2-bromo-6-(2-phenylethynyl)naphthalene?
The InChIKey is IDLZORVBLLZDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Br/c19-18-11-10-16-12-15(8-9-17(16)13-18)7-6-14-4-2-1-3-5-14/h1-5,8-13H.
What are the key properties of 2-bromo-6-(2-phenylethynyl)naphthalene?
2-bromo-6-(2-phenylethynyl)naphthalene has a molecular weight of 307.19 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-phenylethynyl)naphthalene is sourced from PubChem (CID 10852232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).