2-cyclopentyl-1,4-diphenylnaphthalene

C27H24 — CID 15981874

IUPAC2-cyclopentyl-1,4-diphenylnaphthalene
SMILESc1ccc(-c2cc(C3CCCC3)c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H24/c1-3-11-20(12-4-1)25-19-26(21-13-7-8-14-21)27(22-15-5-2-6-16-22)24-18-10-9-17-23(24)25/h1-6,9-12,15-19,21H,7-8,13-14H2
InChIKeyXWDNRYIDUARNBO-UHFFFAOYSA-N
MW348.49 g/mol
LogP7.83
Rot. Bonds3

About 2-cyclopentyl-1,4-diphenylnaphthalene

2-cyclopentyl-1,4-diphenylnaphthalene (PubChem CID 15981874) has the molecular formula C27H24 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-cyclopentyl-1,4-diphenylnaphthalene.

Molecular Properties

Compound Name2-cyclopentyl-1,4-diphenylnaphthalene
PubChem CID15981874
Molecular FormulaC27H24
Molecular Weight348.49 g/mol
Exact Mass348.19
IUPAC Name2-cyclopentyl-1,4-diphenylnaphthalene
SMILESc1ccc(-c2cc(C3CCCC3)c(-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C27H24/c1-3-11-20(12-4-1)25-19-26(21-13-7-8-14-21)27(22-15-5-2-6-16-22)24-18-10-9-17-23(24)25/h1-6,9-12,15-19,21H,7-8,13-14H2
InChIKeyXWDNRYIDUARNBO-UHFFFAOYSA-N
XLogP7.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,4-diphenylnaphthalene?
The IUPAC name of 2-cyclopentyl-1,4-diphenylnaphthalene (CID 15981874) is 2-cyclopentyl-1,4-diphenylnaphthalene.
What is the SMILES notation for 2-cyclopentyl-1,4-diphenylnaphthalene?
The canonical SMILES for 2-cyclopentyl-1,4-diphenylnaphthalene is c1ccc(-c2cc(C3CCCC3)c(-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 2-cyclopentyl-1,4-diphenylnaphthalene?
The InChIKey is XWDNRYIDUARNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24/c1-3-11-20(12-4-1)25-19-26(21-13-7-8-14-21)27(22-15-5-2-6-16-22)24-18-10-9-17-23(24)25/h1-6,9-12,15-19,21H,7-8,13-14H2.
What are the key properties of 2-cyclopentyl-1,4-diphenylnaphthalene?
2-cyclopentyl-1,4-diphenylnaphthalene has a molecular weight of 348.49 g/mol, XLogP of 7.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,4-diphenylnaphthalene is sourced from PubChem (CID 15981874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).