2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene

C24H20 — CID 59051454

IUPAC2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene
SMILESC1=C(c2ccccc2)[C@H]2C=C(c3ccc4ccccc4c3)[C@@H]1CC2
InChIInChI=1S/C24H20/c1-2-7-18(8-3-1)23-15-22-13-12-21(23)16-24(22)20-11-10-17-6-4-5-9-19(17)14-20/h1-11,14-16,21-22H,12-13H2/t21-,22-/m1/s1
InChIKeyZOIBEFGCESUONL-FGZHOGPDSA-N
MW308.42 g/mol
LogP6.35
Rot. Bonds2

About 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene

2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene (PubChem CID 59051454) has the molecular formula C24H20 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene.

Molecular Properties

Compound Name2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene
PubChem CID59051454
Molecular FormulaC24H20
Molecular Weight308.42 g/mol
Exact Mass308.16
IUPAC Name2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene
SMILESC1=C(c2ccccc2)[C@H]2C=C(c3ccc4ccccc4c3)[C@@H]1CC2
InChIInChI=1S/C24H20/c1-2-7-18(8-3-1)23-15-22-13-12-21(23)16-24(22)20-11-10-17-6-4-5-9-19(17)14-20/h1-11,14-16,21-22H,12-13H2/t21-,22-/m1/s1
InChIKeyZOIBEFGCESUONL-FGZHOGPDSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 123868192
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CID 170180018
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CID 156673302
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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene?
The IUPAC name of 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene (CID 59051454) is 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene.
What is the SMILES notation for 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene?
The canonical SMILES for 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene is C1=C(c2ccccc2)[C@H]2C=C(c3ccc4ccccc4c3)[C@@H]1CC2.
What is the InChIKey of 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene?
The InChIKey is ZOIBEFGCESUONL-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H20/c1-2-7-18(8-3-1)23-15-22-13-12-21(23)16-24(22)20-11-10-17-6-4-5-9-19(17)14-20/h1-11,14-16,21-22H,12-13H2/t21-,22-/m1/s1.
What are the key properties of 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene?
2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene has a molecular weight of 308.42 g/mol, XLogP of 6.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4R)-5-phenyl-2-bicyclo[2.2.2]octa-2,5-dienyl]naphthalene is sourced from PubChem (CID 59051454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).