2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene

C24H16S2 — CID 58131936

IUPAC2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene
SMILESCc1ccc(C#Cc2ccc3cc(C#Cc4ccc(C)s4)ccc3c2)s1
InChIInChI=1S/C24H16S2/c1-17-3-11-23(25-17)13-7-19-5-9-22-16-20(6-10-21(22)15-19)8-14-24-12-4-18(2)26-24/h3-6,9-12,15-16H,1-2H3
InChIKeyCYNKRZIVBJSFOE-UHFFFAOYSA-N
MW368.53 g/mol
LogP6.38
Rot. Bonds

About 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene

2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene (PubChem CID 58131936) has the molecular formula C24H16S2 and a molecular weight of 368.53 g/mol. Its IUPAC name is 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene
PubChem CID58131936
Molecular FormulaC24H16S2
Molecular Weight368.53 g/mol
Exact Mass368.07
IUPAC Name2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene
SMILESCc1ccc(C#Cc2ccc3cc(C#Cc4ccc(C)s4)ccc3c2)s1
InChIInChI=1S/C24H16S2/c1-17-3-11-23(25-17)13-7-19-5-9-22-16-20(6-10-21(22)15-19)8-14-24-12-4-18(2)26-24/h3-6,9-12,15-16H,1-2H3
InChIKeyCYNKRZIVBJSFOE-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.53
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene?
The IUPAC name of 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene (CID 58131936) is 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene.
What is the SMILES notation for 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene?
The canonical SMILES for 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene is Cc1ccc(C#Cc2ccc3cc(C#Cc4ccc(C)s4)ccc3c2)s1.
What is the InChIKey of 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene?
The InChIKey is CYNKRZIVBJSFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16S2/c1-17-3-11-23(25-17)13-7-19-5-9-22-16-20(6-10-21(22)15-19)8-14-24-12-4-18(2)26-24/h3-6,9-12,15-16H,1-2H3.
What are the key properties of 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene?
2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene has a molecular weight of 368.53 g/mol, XLogP of 6.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[6-[2-(5-methylthiophen-2-yl)ethynyl]naphthalen-2-yl]ethynyl]thiophene is sourced from PubChem (CID 58131936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).