1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene

C24H14S — CID 138857608

IUPAC1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene
SMILESC(#Cc1cccc2ccccc12)SC#Cc1cccc2ccccc12
InChIInChI=1S/C24H14S/c1-3-13-23-19(7-1)9-5-11-21(23)15-17-25-18-16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14H
InChIKeyCXFVUESXSOMQNQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP6.04
Rot. Bonds

About 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene

1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene (PubChem CID 138857608) has the molecular formula C24H14S and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene.

Molecular Properties

Compound Name1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene
PubChem CID138857608
Molecular FormulaC24H14S
Molecular Weight334.44 g/mol
Exact Mass334.08
IUPAC Name1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene
SMILESC(#Cc1cccc2ccccc12)SC#Cc1cccc2ccccc12
InChIInChI=1S/C24H14S/c1-3-13-23-19(7-1)9-5-11-21(23)15-17-25-18-16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14H
InChIKeyCXFVUESXSOMQNQ-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.44
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylsulfanylethynyl)naphthalene
CID 141231392
3-naphthalen-1-ylprop-2-ynenitrile
CID 116791050
2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
CID 177465758
3-(2-naphthalen-1-ylethynyl)benzene-1,2-diol
CID 67420821
potassium trifluoro(2-naphthalen-1-ylethynyl)boranuide
CID 135083871
5,11,13,15-tetrakis(2-naphthalen-1-ylethynyl)tricyclo[8.2.2.24,7]hexadeca-1(12),4(16),5,7(15),10,13-hexaene
CID 122373167
naphthalene-1-carbonitrile;sulfane
CID 175607355
silver 1-ethynylnaphthalene
CID 15597420
1-(2-cyclopenta-2,4-dien-1-ylethynyl)naphthalene
CID 15498615
1-(2-phenylselanylethynyl)naphthalene
CID 11522394
triethyl(2-naphthalen-1-ylethynyl)silane
CID 102108205
2-bromo-1-(2-naphthalen-1-ylethynyl)naphthalene
CID 90180445

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene?
The IUPAC name of 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene (CID 138857608) is 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene.
What is the SMILES notation for 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene?
The canonical SMILES for 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene is C(#Cc1cccc2ccccc12)SC#Cc1cccc2ccccc12.
What is the InChIKey of 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene?
The InChIKey is CXFVUESXSOMQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14S/c1-3-13-23-19(7-1)9-5-11-21(23)15-17-25-18-16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14H.
What are the key properties of 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene?
1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene has a molecular weight of 334.44 g/mol, XLogP of 6.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-naphthalen-1-ylethynylsulfanyl)ethynyl]naphthalene is sourced from PubChem (CID 138857608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).