2,3-diphenylbicyclo[2.2.1]hept-2-ene

C19H18 — CID 14908753

IUPAC2,3-diphenylbicyclo[2.2.1]hept-2-ene
SMILESc1ccc(C2=C(c3ccccc3)C3CCC2C3)cc1
InChIInChI=1S/C19H18/c1-3-7-14(8-4-1)18-16-11-12-17(13-16)19(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyGPRQXCOBQIXQGO-UHFFFAOYSA-N
MW246.35 g/mol
LogP5.03
Rot. Bonds2

About 2,3-diphenylbicyclo[2.2.1]hept-2-ene

2,3-diphenylbicyclo[2.2.1]hept-2-ene (PubChem CID 14908753) has the molecular formula C19H18 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2,3-diphenylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2,3-diphenylbicyclo[2.2.1]hept-2-ene
PubChem CID14908753
Molecular FormulaC19H18
Molecular Weight246.35 g/mol
Exact Mass246.14
IUPAC Name2,3-diphenylbicyclo[2.2.1]hept-2-ene
SMILESc1ccc(C2=C(c3ccccc3)C3CCC2C3)cc1
InChIInChI=1S/C19H18/c1-3-7-14(8-4-1)18-16-11-12-17(13-16)19(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyGPRQXCOBQIXQGO-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.35
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1S,10R,13S,22R)-heptacyclo[20.2.1.110,13.02,21.03,8.09,14.015,20]hexacosa-2(21),3,5,7,9(14),15,17,19-octaene
CID 139082581
3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
CID 11834975
3,4-diphenyltricyclo[4.2.1.02,5]non-3-ene
CID 85345194
(1S)-2-phenylbicyclo[2.2.1]hept-2-ene
CID 91330733
benzene;cyclopropylbenzene
CID 144638417
(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
CID 102399204
ethane;tricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 91342553
[(1S,4S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]hept-2-enyl]-diphenylphosphane
CID 102256208
azane;1-cyclopropyl-2-phenylbenzene
CID 174547513
1-(3-chlorocyclopentyl)-4-phenylbenzene
CID 65455523
3-methyl-6-phenyl-4,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 90195113
4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
CID 15267343

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2,3-diphenylbicyclo[2.2.1]hept-2-ene (CID 14908753) is 2,3-diphenylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2,3-diphenylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2,3-diphenylbicyclo[2.2.1]hept-2-ene is c1ccc(C2=C(c3ccccc3)C3CCC2C3)cc1.
What is the InChIKey of 2,3-diphenylbicyclo[2.2.1]hept-2-ene?
The InChIKey is GPRQXCOBQIXQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18/c1-3-7-14(8-4-1)18-16-11-12-17(13-16)19(18)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2.
What are the key properties of 2,3-diphenylbicyclo[2.2.1]hept-2-ene?
2,3-diphenylbicyclo[2.2.1]hept-2-ene has a molecular weight of 246.35 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 14908753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).