1-ethynyl-5-phenylnaphthalene

C18H12 — CID 162499401

IUPAC1-ethynyl-5-phenylnaphthalene
SMILESC#Cc1cccc2c(-c3ccccc3)cccc12
InChIInChI=1S/C18H12/c1-2-14-10-6-13-18-16(14)11-7-12-17(18)15-8-4-3-5-9-15/h1,3-13H
InChIKeySUDYLTZHQXGOSK-UHFFFAOYSA-N
MW228.29 g/mol
LogP4.49
Rot. Bonds1

About 1-ethynyl-5-phenylnaphthalene

1-ethynyl-5-phenylnaphthalene (PubChem CID 162499401) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-ethynyl-5-phenylnaphthalene.

Molecular Properties

Compound Name1-ethynyl-5-phenylnaphthalene
PubChem CID162499401
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Name1-ethynyl-5-phenylnaphthalene
SMILESC#Cc1cccc2c(-c3ccccc3)cccc12
InChIInChI=1S/C18H12/c1-2-14-10-6-13-18-16(14)11-7-12-17(18)15-8-4-3-5-9-15/h1,3-13H
InChIKeySUDYLTZHQXGOSK-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethynyl-5-phenylnaphthalene with MolForge

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

Launch Full Analysis

Related Compounds

1,4-diethynyl-2,5-diphenylbenzene
CID 11644823
1-ethynyl-2-(2-methoxyethoxymethoxy)-3-phenylbenzene
CID 11140566
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
1-ethynyl-5-fluoronaphthalene
CID 86094759
4-ethynylnaphthalen-1-amine;5-ethynylnaphthalen-1-amine
CID 161214551
1,1'-biphenyl;1-ethynyl-9H-carbazole
CID 174492389
1-ethynyl-3-(2,3,4,5-tetraphenylphenyl)azulene
CID 12022935
2-ethynyl-1,4-diphenylbenzene
CID 173113752
1-chloro-3-ethynyl-2-phenylbenzene
CID 175239216
1,3,5-triethynylnaphthalene
CID 139963259
disilver;2-diphenylphosphaniumylethyl(diphenyl)phosphanium;bis(1-ethynyl-5-phenylnaphthalene)
CID 162499763
2-methoxy-3-phenylbenzonitrile
CID 91276072

Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-5-phenylnaphthalene?
The IUPAC name of 1-ethynyl-5-phenylnaphthalene (CID 162499401) is 1-ethynyl-5-phenylnaphthalene.
What is the SMILES notation for 1-ethynyl-5-phenylnaphthalene?
The canonical SMILES for 1-ethynyl-5-phenylnaphthalene is C#Cc1cccc2c(-c3ccccc3)cccc12.
What is the InChIKey of 1-ethynyl-5-phenylnaphthalene?
The InChIKey is SUDYLTZHQXGOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12/c1-2-14-10-6-13-18-16(14)11-7-12-17(18)15-8-4-3-5-9-15/h1,3-13H.
What are the key properties of 1-ethynyl-5-phenylnaphthalene?
1-ethynyl-5-phenylnaphthalene has a molecular weight of 228.29 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-5-phenylnaphthalene is sourced from PubChem (CID 162499401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).