1,2-diphenyltricyclo[3.1.0.02,4]hexane

C18H16 — CID 72828756

IUPAC1,2-diphenyltricyclo[3.1.0.02,4]hexane
SMILESc1ccc(C23CC2C2CC23c2ccccc2)cc1
InChIInChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyWVCJJZUUPYLMLJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.92
Rot. Bonds2

About 1,2-diphenyltricyclo[3.1.0.02,4]hexane

1,2-diphenyltricyclo[3.1.0.02,4]hexane (PubChem CID 72828756) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,2-diphenyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name1,2-diphenyltricyclo[3.1.0.02,4]hexane
PubChem CID72828756
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name1,2-diphenyltricyclo[3.1.0.02,4]hexane
SMILESc1ccc(C23CC2C2CC23c2ccccc2)cc1
InChIInChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2
InChIKeyWVCJJZUUPYLMLJ-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3aR,6aR)-5-butyl-6-phenyl-6a-(1-phenylethenyl)-2,3,3a,4-tetrahydro-1H-pentalene
CID 52937353
Cyclolaurene
CID 21762308
1,1'-Diphenyl-1,1'-bicyclopentyl
CID 143614
9-(1,1-Dimethylethyl)-9H-fluorene
CID 28295
(2-Norbornyl)benzene
CID 140314
Biindane
CID 12776678
(3aR,6aR)-6-phenyl-6a-(1-phenylethenyl)-2,3,3a,4-tetrahydro-1H-pentalene
CID 52937352
2,2'-Biindanyl
CID 142337
Bicyclo[2.2.1]heptane, 2-benzyl-
CID 565410
1,7,7-Trimethyl-2-phenylbicyclo[2.2.1]hept-2-ene
CID 598261
(1S,2S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10931896
(2-Ethenyl-1-phenylcyclopropyl)benzene
CID 12434713

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of 1,2-diphenyltricyclo[3.1.0.02,4]hexane (CID 72828756) is 1,2-diphenyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for 1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for 1,2-diphenyltricyclo[3.1.0.02,4]hexane is c1ccc(C23CC2C2CC23c2ccccc2)cc1.
What is the InChIKey of 1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The InChIKey is WVCJJZUUPYLMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16/c1-3-7-13(8-4-1)17-11-15(17)16-12-18(16,17)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2.
What are the key properties of 1,2-diphenyltricyclo[3.1.0.02,4]hexane?
1,2-diphenyltricyclo[3.1.0.02,4]hexane has a molecular weight of 232.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 72828756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).