thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene

C20H14S5 — CID 161377996

IUPACthiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
SMILESc1ccsc1.c1csc(-c2ccsc2-c2ccsc2-c2cccs2)c1
InChIInChI=1S/C16H10S4.C4H4S/c1-3-13(17-7-1)11-5-9-19-15(11)12-6-10-20-16(12)14-4-2-8-18-14;1-2-4-5-3-1/h1-10H;1-4H
InChIKeyVRIHXOVDYMUOHW-UHFFFAOYSA-N
MW414.67 g/mol
LogP8.68
Rot. Bonds3

About thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene

thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene (PubChem CID 161377996) has the molecular formula C20H14S5 and a molecular weight of 414.67 g/mol. Its IUPAC name is thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Namethiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
PubChem CID161377996
Molecular FormulaC20H14S5
Molecular Weight414.67 g/mol
Exact Mass413.97
IUPAC Namethiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
SMILESc1ccsc1.c1csc(-c2ccsc2-c2ccsc2-c2cccs2)c1
InChIInChI=1S/C16H10S4.C4H4S/c1-3-13(17-7-1)11-5-9-19-15(11)12-6-10-20-16(12)14-4-2-8-18-14;1-2-4-5-3-1/h1-10H;1-4H
InChIKeyVRIHXOVDYMUOHW-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
thiophene;2-thiophen-2-ylthiophene
CID 158809122
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
3-(4-chlorophenyl)-2-thiophen-2-ylthiophene
CID 172853479
2-[[2-[3-[3-[3-(3-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]methylidene]propanedinitrile
CID 133083832
4-[5-[3-[5-[4,5-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2,3-bis[5-[4,5-bis[5-(4,5-dithiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 102469985
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-(2,2-dibromo-3H-thiophen-5-yl)-3-thiophen-2-ylthiophene
CID 141454050
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
3-methoxy-2-thiophen-2-ylthiophene
CID 18353954
4,5-dithiophen-2-yl-1,3-dithiol-2-one
CID 15811354

Frequently Asked Questions

What is the IUPAC name of thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene?
The IUPAC name of thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene (CID 161377996) is thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene is c1ccsc1.c1csc(-c2ccsc2-c2ccsc2-c2cccs2)c1.
What is the InChIKey of thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene?
The InChIKey is VRIHXOVDYMUOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S4.C4H4S/c1-3-13(17-7-1)11-5-9-19-15(11)12-6-10-20-16(12)14-4-2-8-18-14;1-2-4-5-3-1/h1-10H;1-4H.
What are the key properties of thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene?
thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene has a molecular weight of 414.67 g/mol, XLogP of 8.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 161377996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).