(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene

C22H22 — CID 102399204

IUPAC(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
SMILESC1=C(c2ccccc2)[C@H]2CC=C(c3ccccc3)[C@@H](C1)CC2
InChIInChI=1S/C22H22/c1-3-7-17(8-4-1)21-15-13-20-12-11-19(21)14-16-22(20)18-9-5-2-6-10-18/h1-10,15-16,19-20H,11-14H2/t19-,20-/m1/s1
InChIKeyATQJRMGDSQUYAG-WOJBJXKFSA-N
MW286.42 g/mol
LogP5.97
Rot. Bonds2

About (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene

(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene (PubChem CID 102399204) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene.

Molecular Properties

Compound Name(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
PubChem CID102399204
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene
SMILESC1=C(c2ccccc2)[C@H]2CC=C(c3ccccc3)[C@@H](C1)CC2
InChIInChI=1S/C22H22/c1-3-7-17(8-4-1)21-15-13-20-12-11-19(21)14-16-22(20)18-9-5-2-6-10-18/h1-10,15-16,19-20H,11-14H2/t19-,20-/m1/s1
InChIKeyATQJRMGDSQUYAG-WOJBJXKFSA-N
XLogP5.97
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 ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene?
The IUPAC name of (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene (CID 102399204) is (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene.
What is the SMILES notation for (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene?
The canonical SMILES for (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene is C1=C(c2ccccc2)[C@H]2CC=C(c3ccccc3)[C@@H](C1)CC2.
What is the InChIKey of (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene?
The InChIKey is ATQJRMGDSQUYAG-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H22/c1-3-7-17(8-4-1)21-15-13-20-12-11-19(21)14-16-22(20)18-9-5-2-6-10-18/h1-10,15-16,19-20H,11-14H2/t19-,20-/m1/s1.
What are the key properties of (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene?
(1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene has a molecular weight of 286.42 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 (1R,5R)-2,6-diphenylbicyclo[3.3.2]deca-2,6-diene is sourced from PubChem (CID 102399204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).