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

C28H14N2S6 — CID 133083832

IUPAC2-[[2-[3-[3-[3-(3-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccsc1-c1sccc1-c1sccc1-c1sccc1-c1sccc1-c1cccs1
InChIInChI=1S/C28H14N2S6/c29-15-17(16-30)14-18-3-9-32-24(18)28-22(7-13-36-28)27-21(6-12-35-27)26-20(5-11-34-26)25-19(4-10-33-25)23-2-1-8-31-23/h1-14H
InChIKeyTYAKGPYXSWPUCM-UHFFFAOYSA-N
MW570.84 g/mol
LogP10.82
Rot. Bonds6

About 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

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 (PubChem CID 133083832) has the molecular formula C28H14N2S6 and a molecular weight of 570.84 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[2-[3-[3-[3-(3-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]methylidene]propanedinitrile
PubChem CID133083832
Molecular FormulaC28H14N2S6
Molecular Weight570.84 g/mol
Exact Mass569.95
IUPAC Name2-[[2-[3-[3-[3-(3-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccsc1-c1sccc1-c1sccc1-c1sccc1-c1sccc1-c1cccs1
InChIInChI=1S/C28H14N2S6/c29-15-17(16-30)14-18-3-9-32-24(18)28-22(7-13-36-28)27-21(6-12-35-27)26-20(5-11-34-26)25-19(4-10-33-25)23-2-1-8-31-23/h1-14H
InChIKeyTYAKGPYXSWPUCM-UHFFFAOYSA-N
XLogP10.82
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.84
LogP ≤ 510.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

thiophene;2-thiophen-2-yl-3-(3-thiophen-2-ylthiophen-2-yl)thiophene
CID 161377996
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
2,5-dithiophen-2-ylbenzene-1,4-dicarbonitrile
CID 3632903
2-[(2-hydroxyphenyl)methylidene]propanedinitrile
CID 23409
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
3,4-dibromo-2-[2-(2-thiophen-2-ylthiophen-3-yl)thiophen-3-yl]thiophene
CID 68932468
(Z)-2-isocyano-3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enenitrile
CID 123586284
4-formyl-3-thiophen-2-ylbenzonitrile
CID 54376113
2-amino-4-thiophen-2-ylfuran-3-carbonitrile
CID 82044048
5-prop-1-enyl-2,3-dithiophen-2-ylthiophene
CID 54514965
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#CC(C#N)=Cc1ccsc1-c1sccc1-c1sccc1-c1sccc1-c1sccc1-c1cccs1.
What is the InChIKey of 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?
The InChIKey is TYAKGPYXSWPUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H14N2S6/c29-15-17(16-30)14-18-3-9-32-24(18)28-22(7-13-36-28)27-21(6-12-35-27)26-20(5-11-34-26)25-19(4-10-33-25)23-2-1-8-31-23/h1-14H.
What are the key properties of 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?
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 has a molecular weight of 570.84 g/mol, XLogP of 10.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 133083832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).