1,2,3-triethynylnaphthalene

C16H8 — CID 139963288

IUPAC1,2,3-triethynylnaphthalene
SMILESC#Cc1cc2ccccc2c(C#C)c1C#C
InChIInChI=1S/C16H8/c1-4-12-11-13-9-7-8-10-16(13)15(6-3)14(12)5-2/h1-3,7-11H
InChIKeyQYSDZIZDKFGTPD-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.78
Rot. Bonds

About 1,2,3-triethynylnaphthalene

1,2,3-triethynylnaphthalene (PubChem CID 139963288) has the molecular formula C16H8 and a molecular weight of 200.24 g/mol. Its IUPAC name is 1,2,3-triethynylnaphthalene.

Molecular Properties

Compound Name1,2,3-triethynylnaphthalene
PubChem CID139963288
Molecular FormulaC16H8
Molecular Weight200.24 g/mol
Exact Mass200.06
IUPAC Name1,2,3-triethynylnaphthalene
SMILESC#Cc1cc2ccccc2c(C#C)c1C#C
InChIInChI=1S/C16H8/c1-4-12-11-13-9-7-8-10-16(13)15(6-3)14(12)5-2/h1-3,7-11H
InChIKeyQYSDZIZDKFGTPD-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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Frequently Asked Questions

What is the IUPAC name of 1,2,3-triethynylnaphthalene?
The IUPAC name of 1,2,3-triethynylnaphthalene (CID 139963288) is 1,2,3-triethynylnaphthalene.
What is the SMILES notation for 1,2,3-triethynylnaphthalene?
The canonical SMILES for 1,2,3-triethynylnaphthalene is C#Cc1cc2ccccc2c(C#C)c1C#C.
What is the InChIKey of 1,2,3-triethynylnaphthalene?
The InChIKey is QYSDZIZDKFGTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8/c1-4-12-11-13-9-7-8-10-16(13)15(6-3)14(12)5-2/h1-3,7-11H.
What are the key properties of 1,2,3-triethynylnaphthalene?
1,2,3-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 1,2,3-triethynylnaphthalene is sourced from PubChem (CID 139963288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).