1,3,5-triethynylnaphthalene

C16H8 — CID 139963259

IUPAC1,3,5-triethynylnaphthalene
SMILESC#Cc1cc(C#C)c2cccc(C#C)c2c1
InChIInChI=1S/C16H8/c1-4-12-10-14(6-3)15-9-7-8-13(5-2)16(15)11-12/h1-3,7-11H
InChIKeyVQBDBOSFEYOWIQ-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.78
Rot. Bonds

About 1,3,5-triethynylnaphthalene

1,3,5-triethynylnaphthalene (PubChem CID 139963259) has the molecular formula C16H8 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,3,5-triethynylnaphthalene.

Molecular Properties

Compound Name1,3,5-triethynylnaphthalene
PubChem CID139963259
Molecular FormulaC16H8
Molecular Weight200.24 g/mol
Exact Mass200.06
IUPAC Name1,3,5-triethynylnaphthalene
SMILESC#Cc1cc(C#C)c2cccc(C#C)c2c1
InChIInChI=1S/C16H8/c1-4-12-10-14(6-3)15-9-7-8-13(5-2)16(15)11-12/h1-3,7-11H
InChIKeyVQBDBOSFEYOWIQ-UHFFFAOYSA-N
XLogP2.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-(5,7-diethynylnaphthalen-1-yl)-1,3-diethynylnaphthalene
CID 139963218
1,3-diethynylnaphthalene
CID 139963204
1-ethynyl-5-fluoronaphthalene
CID 86094759
1-(5,7-diethynylnaphthalen-1-yl)-3-[3-(5,7-diethynylnaphthalen-1-yl)-5,7-dimethyl-1-adamantyl]-5,7-dimethyladamantane
CID 91026070
1-ethynyl-5-phenylnaphthalene
CID 162499401
4-ethynylnaphthalen-1-amine;5-ethynylnaphthalen-1-amine
CID 161214551
4-ethynyl-1-(4-ethynyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 139963291
2,4,6-triethynyl-N-methylaniline
CID 87452039
5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 139963293
4,8-diethynylnaphthalen-1-amine
CID 22338949
CID 174880137
CID 174880137
2,5,8,11,20-pentaethynylhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(18),2,4(17),5,7(16),8,10(15),11,13,19-decaene
CID 25192309

Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethynylnaphthalene?
The IUPAC name of 1,3,5-triethynylnaphthalene (CID 139963259) is 1,3,5-triethynylnaphthalene.
What is the SMILES notation for 1,3,5-triethynylnaphthalene?
The canonical SMILES for 1,3,5-triethynylnaphthalene is C#Cc1cc(C#C)c2cccc(C#C)c2c1.
What is the InChIKey of 1,3,5-triethynylnaphthalene?
The InChIKey is VQBDBOSFEYOWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8/c1-4-12-10-14(6-3)15-9-7-8-13(5-2)16(15)11-12/h1-3,7-11H.
What are the key properties of 1,3,5-triethynylnaphthalene?
1,3,5-triethynylnaphthalene has a molecular weight of 200.24 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethynylnaphthalene is sourced from PubChem (CID 139963259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).