chempirical

1-Phenylnaphthalene

C16H12CAS 605-02-7204.27 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C16H12
Molar mass
204.27 g/mol
Exact mass
204.0939 Da
Density
1.103 g/mL (at 20 °C)
Melting point
45 °C
Boiling point
334 °C
logP
4.51Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
605-02-7
SMILES
c1ccc(-c2cccc3ccccc23)cc1
InChIKey
IYDMICQAKLQHLA-UHFFFAOYSA-N
InChI
InChI=1S/C16H12/c1-2-7-13(8-3-1)16-12-6-10-14-9-4-5-11-15(14)16/h1-12H

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Names and synonyms

2 names
  • Naphthalene, 1-phenyl-
  • NSC 5257

Reactions

Work with 1-Phenylnaphthalene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1'-Binaphthyl604-53-570 % similar 4-(1-Naphthalenyl)benzenamine125404-00-465 % similar 9-Bromo-10-[4-(1-naphthyl)phenyl]anthracene1092390-01-657 % similar O-Terphenyl84-15-155 % similar 2-(1-Naphthyl)-5-phenyloxazole846-63-952 % similar 1-Bromo-8-phenylnaphthalene1121545-24-150 % similar 2,5-Bis(1-naphthyl)-1,3,4-oxadiazole905-62-450 % similar 2-Chlorobiphenyl2051-60-748 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

9-Vinylanthracene2444-68-0 2-Phenylnaphthalene612-94-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook