6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene

C22H22 — CID 14691568

IUPAC6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene
SMILESC1=C2CCCCC2=CC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H22/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-22(21)18-11-5-2-6-12-18/h1-6,9-12,15-16,21-22H,7-8,13-14H2
InChIKeyBHJFGGOFIFKIJI-UHFFFAOYSA-N
MW286.42 g/mol
LogP5.99
Rot. Bonds2

About 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene

6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene (PubChem CID 14691568) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene.

Molecular Properties

Compound Name6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene
PubChem CID14691568
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene
SMILESC1=C2CCCCC2=CC(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C22H22/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-22(21)18-11-5-2-6-12-18/h1-6,9-12,15-16,21-22H,7-8,13-14H2
InChIKeyBHJFGGOFIFKIJI-UHFFFAOYSA-N
XLogP5.99
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 ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-[(1R,2R)-2,4-diphenylcyclopent-3-en-1-yl]-4-methylbenzene
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(3S)-3-ethyl-1-phenylcycloheptene
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1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
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cyclopentylbenzene;iron
CID 158512704

Frequently Asked Questions

What is the IUPAC name of 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene?
The IUPAC name of 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene (CID 14691568) is 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene.
What is the SMILES notation for 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene?
The canonical SMILES for 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene is C1=C2CCCCC2=CC(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene?
The InChIKey is BHJFGGOFIFKIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22/c1-3-9-17(10-4-1)21-15-19-13-7-8-14-20(19)16-22(21)18-11-5-2-6-12-18/h1-6,9-12,15-16,21-22H,7-8,13-14H2.
What are the key properties of 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene?
6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene has a molecular weight of 286.42 g/mol, XLogP of 5.99, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenyl-1,2,3,4,6,7-hexahydronaphthalene is sourced from PubChem (CID 14691568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).