2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene

C25H26 — CID 19912588

IUPAC2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene
SMILESCCCCCc1ccc(C#Cc2ccc3cc(CC)ccc3c2)cc1
InChIInChI=1S/C25H26/c1-3-5-6-7-21-8-10-22(11-9-21)12-13-23-15-17-24-18-20(4-2)14-16-25(24)19-23/h8-11,14-19H,3-7H2,1-2H3
InChIKeyCBIYZEJXUBPAHW-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.53
Rot. Bonds5

About 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene

2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene (PubChem CID 19912588) has the molecular formula C25H26 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene.

Molecular Properties

Compound Name2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene
PubChem CID19912588
Molecular FormulaC25H26
Molecular Weight326.48 g/mol
Exact Mass326.20
IUPAC Name2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene
SMILESCCCCCc1ccc(C#Cc2ccc3cc(CC)ccc3c2)cc1
InChIInChI=1S/C25H26/c1-3-5-6-7-21-8-10-22(11-9-21)12-13-23-15-17-24-18-20(4-2)14-16-25(24)19-23/h8-11,14-19H,3-7H2,1-2H3
InChIKeyCBIYZEJXUBPAHW-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 19912598
2-butyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene
CID 19912701
2-butyl-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 19912364
2-heptyl-6-[2-(4-methylphenyl)ethynyl]naphthalene
CID 19912422
2,3-difluoro-6-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139858468
2-butoxy-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 19912302
2-heptoxy-6-[2-(4-pentylphenyl)ethynyl]naphthalene
CID 19912485
2-hexoxy-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 19912559
2-heptoxy-6-[2-(4-heptylphenyl)ethynyl]naphthalene
CID 19912357
2-[2-[4-(4-methoxyphenyl)phenyl]ethynyl]-6-pentylnaphthalene
CID 19912406
1-[2-(4-decylphenyl)ethynyl]-4-[2-(4-hexylphenyl)ethynyl]benzene
CID 19790521
6-ethyl-1-fluoro-2-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139877504

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene?
The IUPAC name of 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene (CID 19912588) is 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene.
What is the SMILES notation for 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene?
The canonical SMILES for 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene is CCCCCc1ccc(C#Cc2ccc3cc(CC)ccc3c2)cc1.
What is the InChIKey of 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene?
The InChIKey is CBIYZEJXUBPAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26/c1-3-5-6-7-21-8-10-22(11-9-21)12-13-23-15-17-24-18-20(4-2)14-16-25(24)19-23/h8-11,14-19H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene?
2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene has a molecular weight of 326.48 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-(4-pentylphenyl)ethynyl]naphthalene is sourced from PubChem (CID 19912588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).