(1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane

C18H16 — CID 11390638

IUPAC(1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane
SMILESc1ccc([C@]23C[C@H]2[C@@H]2C[C@@]23c2ccccc2)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/t15-,16-,17+,18+/m0/s1
InChIKeyWVCJJZUUPYLMLJ-WNRNVDISSA-N
MW232.33 g/mol
LogP3.92
Rot. Bonds2

About (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane

(1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane (PubChem CID 11390638) has the molecular formula C18H16 and a molecular weight of 232.33 g/mol. Its IUPAC name is (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name(1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane
PubChem CID11390638
Molecular FormulaC18H16
Molecular Weight232.33 g/mol
Exact Mass232.13
IUPAC Name(1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane
SMILESc1ccc([C@]23C[C@H]2[C@@H]2C[C@@]23c2ccccc2)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/t15-,16-,17+,18+/m0/s1
InChIKeyWVCJJZUUPYLMLJ-WNRNVDISSA-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

CID 52937353
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CID 21762308
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CID 143614
CID 143614
CID 28295
CID 28295
CID 140314
CID 140314
CID 12776678
CID 12776678
CID 52937352
CID 52937352
CID 142337
CID 142337
CID 565410
CID 565410
CID 598261
CID 598261
CID 10931896
CID 10931896
CID 12434713
CID 12434713

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane (CID 11390638) is (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane is c1ccc([C@]23C[C@H]2[C@@H]2C[C@@]23c2ccccc2)cc1.
What is the InChIKey of (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
The InChIKey is WVCJJZUUPYLMLJ-WNRNVDISSA-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/t15-,16-,17+,18+/m0/s1.
What are the key properties of (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane?
(1S,2S,4S,5S)-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 (1S,2S,4S,5S)-1,2-diphenyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 11390638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).