1,2,6-triphenyltricyclo[2.2.0.02,6]hexane

C24H20 — CID 12584660

IUPAC1,2,6-triphenyltricyclo[2.2.0.02,6]hexane
SMILESc1ccc(C23CC4CC2(c2ccccc2)C43c2ccccc2)cc1
InChIInChI=1S/C24H20/c1-4-10-18(11-5-1)22-16-21-17-23(22,19-12-6-2-7-13-19)24(21,22)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyNVWGVPNCNPSERS-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.24
Rot. Bonds3

About 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane

1,2,6-triphenyltricyclo[2.2.0.02,6]hexane (PubChem CID 12584660) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane.

Molecular Properties

Compound Name1,2,6-triphenyltricyclo[2.2.0.02,6]hexane
PubChem CID12584660
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name1,2,6-triphenyltricyclo[2.2.0.02,6]hexane
SMILESc1ccc(C23CC4CC2(c2ccccc2)C43c2ccccc2)cc1
InChIInChI=1S/C24H20/c1-4-10-18(11-5-1)22-16-21-17-23(22,19-12-6-2-7-13-19)24(21,22)20-14-8-3-9-15-20/h1-15,21H,16-17H2
InChIKeyNVWGVPNCNPSERS-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1R,2S)-2-methyl-2-phenylcyclopropan-1-ol
CID 121227035
(3R,4S,5S,6S)-4-methyl-5,6-diphenyltetracyclo[6.4.0.03,5.03,6]dodeca-1(12),8,10-triene
CID 9498786
(1S,2S,4R,5S)-2,5-diphenylbicyclo[2.2.1]heptane-2,5-diol
CID 124803011
(1S,2S,4S,5S)-2,5-diphenylbicyclo[2.2.2]octane-2,5-diol
CID 102394806
ethane;(1R,5S)-1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90850243
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90902808
ethane;1-phenyl-3-azabicyclo[3.1.0]hexane
CID 90822722
(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
trans-(1R,3S)-2,2,3-trimethyl-3-phenylcyclobutan-1-ol
CID 175816739
2,3-dimethyl-3-phenylcyclobutan-1-ol
CID 175816648
1-(2,2-diphenylcyclopropyl)-4-(trifluoromethyl)benzene
CID 11473198

Frequently Asked Questions

What is the IUPAC name of 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane?
The IUPAC name of 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane (CID 12584660) is 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane.
What is the SMILES notation for 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane?
The canonical SMILES for 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane is c1ccc(C23CC4CC2(c2ccccc2)C43c2ccccc2)cc1.
What is the InChIKey of 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane?
The InChIKey is NVWGVPNCNPSERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20/c1-4-10-18(11-5-1)22-16-21-17-23(22,19-12-6-2-7-13-19)24(21,22)20-14-8-3-9-15-20/h1-15,21H,16-17H2.
What are the key properties of 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane?
1,2,6-triphenyltricyclo[2.2.0.02,6]hexane has a molecular weight of 308.42 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-triphenyltricyclo[2.2.0.02,6]hexane is sourced from PubChem (CID 12584660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).