2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile

C32H20N4S5 — CID 171592326

IUPAC2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile
SMILESCc1c(C=C(C#N)C#N)sc(-c2ccc(-c3ccc(-c4ccc(-c5sc(C=C(C#N)C#N)c(C)c5C)s4)s3)s2)c1C
InChIInChI=1S/C32H20N4S5/c1-17-19(3)31(40-29(17)11-21(13-33)14-34)27-9-7-25(38-27)23-5-6-24(37-23)26-8-10-28(39-26)32-20(4)18(2)30(41-32)12-22(15-35)16-36/h5-12H,1-4H3
InChIKeySKJKORXBFLTXOD-UHFFFAOYSA-N
MW620.88 g/mol
LogP10.76
Rot. Bonds6

About 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile

2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile (PubChem CID 171592326) has the molecular formula C32H20N4S5 and a molecular weight of 620.88 g/mol. Its IUPAC name is 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile
PubChem CID171592326
Molecular FormulaC32H20N4S5
Molecular Weight620.88 g/mol
Exact Mass620.03
IUPAC Name2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile
SMILESCc1c(C=C(C#N)C#N)sc(-c2ccc(-c3ccc(-c4ccc(-c5sc(C=C(C#N)C#N)c(C)c5C)s4)s3)s2)c1C
InChIInChI=1S/C32H20N4S5/c1-17-19(3)31(40-29(17)11-21(13-33)14-34)27-9-7-25(38-27)23-5-6-24(37-23)26-8-10-28(39-26)32-20(4)18(2)30(41-32)12-22(15-35)16-36/h5-12H,1-4H3
InChIKeySKJKORXBFLTXOD-UHFFFAOYSA-N
XLogP10.76
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.88
LogP ≤ 510.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile (CID 171592326) is 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile is Cc1c(C=C(C#N)C#N)sc(-c2ccc(-c3ccc(-c4ccc(-c5sc(C=C(C#N)C#N)c(C)c5C)s4)s3)s2)c1C.
What is the InChIKey of 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile?
The InChIKey is SKJKORXBFLTXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N4S5/c1-17-19(3)31(40-29(17)11-21(13-33)14-34)27-9-7-25(38-27)23-5-6-24(37-23)26-8-10-28(39-26)32-20(4)18(2)30(41-32)12-22(15-35)16-36/h5-12H,1-4H3.
What are the key properties of 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile?
2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile has a molecular weight of 620.88 g/mol, XLogP of 10.76, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-[5-[5-[5-(2,2-dicyanoethenyl)-3,4-dimethylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3,4-dimethylthiophen-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 171592326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).