1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane

C24H28 — CID 134979823

IUPAC1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane
SMILESCC1(C)C2(C)C1(c1ccccc1)C1(C)C(C)(C)C21c1ccccc1
InChIInChI=1S/C24H28/c1-19(2)21(5)23(19,17-13-9-7-10-14-17)22(6)20(3,4)24(21,22)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyFQFYYPOAXNOCRJ-UHFFFAOYSA-N
MW316.49 g/mol
LogP5.97
Rot. Bonds2

About 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane

1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane (PubChem CID 134979823) has the molecular formula C24H28 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane.

Molecular Properties

Compound Name1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane
PubChem CID134979823
Molecular FormulaC24H28
Molecular Weight316.49 g/mol
Exact Mass316.22
IUPAC Name1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane
SMILESCC1(C)C2(C)C1(c1ccccc1)C1(C)C(C)(C)C21c1ccccc1
InChIInChI=1S/C24H28/c1-19(2)21(5)23(19,17-13-9-7-10-14-17)22(6)20(3,4)24(21,22)18-15-11-8-12-16-18/h7-16H,1-6H3
InChIKeyFQFYYPOAXNOCRJ-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.49
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane?
The IUPAC name of 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane (CID 134979823) is 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane.
What is the SMILES notation for 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane?
The canonical SMILES for 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane is CC1(C)C2(C)C1(c1ccccc1)C1(C)C(C)(C)C21c1ccccc1.
What is the InChIKey of 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane?
The InChIKey is FQFYYPOAXNOCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28/c1-19(2)21(5)23(19,17-13-9-7-10-14-17)22(6)20(3,4)24(21,22)18-15-11-8-12-16-18/h7-16H,1-6H3.
What are the key properties of 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane?
1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane has a molecular weight of 316.49 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,6,6-hexamethyl-2,5-diphenyltricyclo[3.1.0.02,4]hexane is sourced from PubChem (CID 134979823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).