3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene

C22H22 — CID 141155821

IUPAC3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CCC(c3ccc(-c4ccccc4)cc3)C21
InChIInChI=1S/C22H22/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)20-12-13-21-18-10-11-19(14-18)22(20)21/h1-11,18-22H,12-14H2
InChIKeyWREXEQBDFJLZFN-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.67
Rot. Bonds2

About 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene

3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 141155821) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene
PubChem CID141155821
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene
SMILESC1=CC2CC1C1CCC(c3ccc(-c4ccccc4)cc3)C21
InChIInChI=1S/C22H22/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)20-12-13-21-18-10-11-19(14-18)22(20)21/h1-11,18-22H,12-14H2
InChIKeyWREXEQBDFJLZFN-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 75994277
CID 75994277
1,1'-biphenyl;tricyclo[5.2.1.02,6]deca-3,8-diene
CID 173347258
(1S,4R,5S)-5-phenylbicyclo[2.2.1]hept-2-ene
CID 98052947
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
3-phenyltricyclo[5.2.1.02,6]deca-3,8-diene
CID 75242817
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1-(3-chlorocyclopentyl)-4-phenylbenzene
CID 65455523
tetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,13-tetraene
CID 22237211
3-(trichloromethyl)tricyclo[5.2.1.02,6]dec-8-ene
CID 69278155
[4-[(4R)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 88878262
[4-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]phenyl]-diphenylphosphane
CID 101233300
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 66106755

Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene (CID 141155821) is 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene is C1=CC2CC1C1CCC(c3ccc(-c4ccccc4)cc3)C21.
What is the InChIKey of 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is WREXEQBDFJLZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-2-4-15(5-3-1)16-6-8-17(9-7-16)20-12-13-21-18-10-11-19(14-18)22(20)21/h1-11,18-22H,12-14H2.
What are the key properties of 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene?
3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 286.42 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)tricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 141155821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).