2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile

C26H14N2S3 — CID 177465509

IUPAC2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(-c4cccc5ccccc45)s3)s2)s1
InChIInChI=1S/C26H14N2S3/c27-15-17(16-28)14-19-8-9-23(29-19)24-12-13-26(31-24)25-11-10-22(30-25)21-7-3-5-18-4-1-2-6-20(18)21/h1-14H
InChIKeyQTYWVPXQWVHVTK-UHFFFAOYSA-N
MW450.61 g/mol
LogP8.46
Rot. Bonds4

About 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile

2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile (PubChem CID 177465509) has the molecular formula C26H14N2S3 and a molecular weight of 450.61 g/mol. Its IUPAC name is 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
PubChem CID177465509
Molecular FormulaC26H14N2S3
Molecular Weight450.61 g/mol
Exact Mass450.03
IUPAC Name2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(-c4cccc5ccccc45)s3)s2)s1
InChIInChI=1S/C26H14N2S3/c27-15-17(16-28)14-19-8-9-23(29-19)24-12-13-26(31-24)25-11-10-22(30-25)21-7-3-5-18-4-1-2-6-20(18)21/h1-14H
InChIKeyQTYWVPXQWVHVTK-UHFFFAOYSA-N
XLogP8.46
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yl-5-[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 14929397
2-[[5-[12-(3,5-ditert-butylphenyl)-12-azapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-1(20),2,4,6,8,10,13(21),14,16,18-decaen-16-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 138552124
2-[[5-[5-[(E)-2-[5-[5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 102205328
2-[[5-[5-(1-methylpyrrol-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 132516004
2-[[5-[5-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 137477240
2-[[5-[11-[5-(2,2-dicyanoethenyl)thiophen-2-yl]-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 167236664
2-[[5-[3-[4-(dimethylamino)phenyl]-2-benzothiophen-1-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 11718538
(E)-2-cyano-3-[5-[5-[5-(N-naphthalen-1-ylanilino)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]prop-2-enoic acid
CID 59253724
(E)-2-cyano-3-[5-(7,12-diphenylbenzo[k]fluoranthen-3-yl)thiophen-2-yl]prop-2-enoic acid
CID 101466533
methyl-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]-phenylazanium
CID 163669867
2-[[5-[11-[5-(2,2-dicyanoethenyl)thiophen-2-yl]-3,3,10,10-tetramethyl-7,14-dithiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaen-4-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 165045494
2-[[5-[5-[(Z)-1-amino-2-[amino(benzyl)amino]ethenyl]thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 143186771

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile (CID 177465509) is 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile is N#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(-c4cccc5ccccc45)s3)s2)s1.
What is the InChIKey of 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
The InChIKey is QTYWVPXQWVHVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2S3/c27-15-17(16-28)14-19-8-9-23(29-19)24-12-13-26(31-24)25-11-10-22(30-25)21-7-3-5-18-4-1-2-6-20(18)21/h1-14H.
What are the key properties of 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile?
2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile has a molecular weight of 450.61 g/mol, XLogP of 8.46, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[5-(5-naphthalen-1-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methylidene]propanedinitrile is sourced from PubChem (CID 177465509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).