2-[2-(2-phenylphenyl)ethynyl]thiophene

C18H12S — CID 11357429

IUPAC2-[2-(2-phenylphenyl)ethynyl]thiophene
SMILESC(#Cc1ccccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C18H12S/c1-2-7-15(8-3-1)18-11-5-4-9-16(18)12-13-17-10-6-14-19-17/h1-11,14H
InChIKeyKYWMGCLGZSSMDR-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.81
Rot. Bonds1

About 2-[2-(2-phenylphenyl)ethynyl]thiophene

2-[2-(2-phenylphenyl)ethynyl]thiophene (PubChem CID 11357429) has the molecular formula C18H12S and a molecular weight of 260.36 g/mol. Its IUPAC name is 2-[2-(2-phenylphenyl)ethynyl]thiophene.

Molecular Properties

Compound Name2-[2-(2-phenylphenyl)ethynyl]thiophene
PubChem CID11357429
Molecular FormulaC18H12S
Molecular Weight260.36 g/mol
Exact Mass260.07
IUPAC Name2-[2-(2-phenylphenyl)ethynyl]thiophene
SMILESC(#Cc1ccccc1-c1ccccc1)c1cccs1
InChIInChI=1S/C18H12S/c1-2-7-15(8-3-1)18-11-5-4-9-16(18)12-13-17-10-6-14-19-17/h1-11,14H
InChIKeyKYWMGCLGZSSMDR-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.81
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

2-[2-(2-phenylphenyl)ethynyl]phenol
CID 166448690
2-[2-[2-[2-(2-thiophen-2-ylethynylsulfanyl)phenyl]phenyl]sulfanylethynyl]thiophene
CID 71378347
2-[2-[2-(azidomethyl)phenyl]ethynyl]thiophene
CID 135016893
bicyclo[3.1.0]hexa-1(6),2,4-triene;2-prop-1-ynylthiophene
CID 175010018
2-[2-(benzenesulfonyl)ethynyl]thiophene
CID 162405289
2-prop-1-ynyl-5-(2-thiophen-2-ylethynyl)thiophene
CID 642329
2-[2-(4-bromophenyl)ethynyl]thiophene
CID 691687
2,5-bis(2-thiophen-2-ylethynyl)-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59270675
N-[8-(2-thiophen-2-ylethynyl)naphthalen-1-yl]benzamide
CID 154635937
1-(4-methoxybut-1-ynyl)-2-phenylbenzene
CID 177491887
2-phenyl-4-thiophen-2-ylbut-3-yn-2-ol
CID 130055842
(E)-7-thiophen-2-ylhept-2-en-4,6-diyn-1-ol
CID 130124083

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylphenyl)ethynyl]thiophene?
The IUPAC name of 2-[2-(2-phenylphenyl)ethynyl]thiophene (CID 11357429) is 2-[2-(2-phenylphenyl)ethynyl]thiophene.
What is the SMILES notation for 2-[2-(2-phenylphenyl)ethynyl]thiophene?
The canonical SMILES for 2-[2-(2-phenylphenyl)ethynyl]thiophene is C(#Cc1ccccc1-c1ccccc1)c1cccs1.
What is the InChIKey of 2-[2-(2-phenylphenyl)ethynyl]thiophene?
The InChIKey is KYWMGCLGZSSMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S/c1-2-7-15(8-3-1)18-11-5-4-9-16(18)12-13-17-10-6-14-19-17/h1-11,14H.
What are the key properties of 2-[2-(2-phenylphenyl)ethynyl]thiophene?
2-[2-(2-phenylphenyl)ethynyl]thiophene has a molecular weight of 260.36 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylphenyl)ethynyl]thiophene is sourced from PubChem (CID 11357429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).