2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile

C19H10N2S2 — CID 12915013

IUPAC2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1SC2(S1)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C19H10N2S2/c20-11-15(12-21)18-22-19(23-18)16(13-7-3-1-4-8-13)17(19)14-9-5-2-6-10-14/h1-10H
InChIKeyXIHJSZLLZBSWQQ-UHFFFAOYSA-N
MW330.44 g/mol
LogP5.05
Rot. Bonds2

About 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile

2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile (PubChem CID 12915013) has the molecular formula C19H10N2S2 and a molecular weight of 330.44 g/mol. Its IUPAC name is 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile
PubChem CID12915013
Molecular FormulaC19H10N2S2
Molecular Weight330.44 g/mol
Exact Mass330.03
IUPAC Name2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1SC2(S1)C(c1ccccc1)=C2c1ccccc1
InChIInChI=1S/C19H10N2S2/c20-11-15(12-21)18-22-19(23-18)16(13-7-3-1-4-8-13)17(19)14-9-5-2-6-10-14/h1-10H
InChIKeyXIHJSZLLZBSWQQ-UHFFFAOYSA-N
XLogP5.05
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.44
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_D(3)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1'-biphenyl;2-methylidenepropanedinitrile
CID 87130284
2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile
CID 102492464
2-(3-phenylinden-1-ylidene)propanedinitrile
CID 102364192
CID 162140615
CID 162140615
bis(acetonitrile);1,1'-biphenyl
CID 175366291
2-(1-oxo-2,6-diphenylthiopyran-4-ylidene)propanedinitrile
CID 88646108
2-(3,4-diphenyl-1,3-thiazol-2-ylidene)propanedinitrile
CID 15697421
4-(dicyanomethylidene)-1,1-dioxo-2,6-diphenylthiopyran-3,5-dicarboxylic acid
CID 89075848
CID 174375840
CID 174375840
2-[(5Z)-4-phenyl-5-propylidene-1,3-thiazol-2-ylidene]propanedinitrile
CID 163869842
benzene;tris(1,1'-biphenyl)
CID 162155747
2-[5-(dicyanomethylidene)-2,8-diphenyl-3,7-bis(trifluoromethyl)pyrazino[2,3-g]quinoxalin-10-ylidene]propanedinitrile
CID 89240894

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile?
The IUPAC name of 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile (CID 12915013) is 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile.
What is the SMILES notation for 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile?
The canonical SMILES for 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile is N#CC(C#N)=C1SC2(S1)C(c1ccccc1)=C2c1ccccc1.
What is the InChIKey of 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile?
The InChIKey is XIHJSZLLZBSWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N2S2/c20-11-15(12-21)18-22-19(23-18)16(13-7-3-1-4-8-13)17(19)14-9-5-2-6-10-14/h1-10H.
What are the key properties of 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile?
2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile has a molecular weight of 330.44 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile is sourced from PubChem (CID 12915013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).