2-(3-phenylinden-1-ylidene)propanedinitrile

C18H10N2 — CID 102364192

IUPAC2-(3-phenylinden-1-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H10N2/c19-11-14(12-20)18-10-17(13-6-2-1-3-7-13)15-8-4-5-9-16(15)18/h1-10H
InChIKeyPMWKLDDVOCXOEY-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.93
Rot. Bonds1

About 2-(3-phenylinden-1-ylidene)propanedinitrile

2-(3-phenylinden-1-ylidene)propanedinitrile (PubChem CID 102364192) has the molecular formula C18H10N2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3-phenylinden-1-ylidene)propanedinitrile.

Molecular Properties

Compound Name2-(3-phenylinden-1-ylidene)propanedinitrile
PubChem CID102364192
Molecular FormulaC18H10N2
Molecular Weight254.29 g/mol
Exact Mass254.08
IUPAC Name2-(3-phenylinden-1-ylidene)propanedinitrile
SMILESN#CC(C#N)=C1C=C(c2ccccc2)c2ccccc21
InChIInChI=1S/C18H10N2/c19-11-14(12-20)18-10-17(13-6-2-1-3-7-13)15-8-4-5-9-16(15)18/h1-10H
InChIKeyPMWKLDDVOCXOEY-UHFFFAOYSA-N
XLogP3.93
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
CID 11315014
[2-cyano-2-[3-(dicyanomethylidene)inden-1-yl]ethenylidene]azanide
CID 74655431
2-(3-methylperoxyinden-1-ylidene)propanedinitrile
CID 143158103
(1Z)-1-(2,2-dimethyl-1-phenylpropylidene)-3-phenylindene
CID 5378956
4-[(1Z)-1-phenyl-1-(3-phenylinden-1-ylidene)propan-2-yl]oxyphenol
CID 102164178
2-(1-oxo-2,6-diphenylthiopyran-4-ylidene)propanedinitrile
CID 88646108
1,1'-biphenyl;2-methylidenepropanedinitrile
CID 87130284
2-[10-(dicyanomethylidene)-2,6-diphenylanthracen-9-ylidene]propanedinitrile
CID 102492464
2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)propanedinitrile
CID 13426325
(2E)-2-hydroxyimino-2-(2-phenylphenyl)acetonitrile
CID 134092476
2-(1,2-diphenyl-4,6-dithiaspiro[2.3]hex-1-en-5-ylidene)propanedinitrile
CID 12915013
2-[2-methyl-1-(2-methylsulfanylethyl)quinolin-4-ylidene]propanedinitrile
CID 176911718

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylinden-1-ylidene)propanedinitrile?
The IUPAC name of 2-(3-phenylinden-1-ylidene)propanedinitrile (CID 102364192) is 2-(3-phenylinden-1-ylidene)propanedinitrile.
What is the SMILES notation for 2-(3-phenylinden-1-ylidene)propanedinitrile?
The canonical SMILES for 2-(3-phenylinden-1-ylidene)propanedinitrile is N#CC(C#N)=C1C=C(c2ccccc2)c2ccccc21.
What is the InChIKey of 2-(3-phenylinden-1-ylidene)propanedinitrile?
The InChIKey is PMWKLDDVOCXOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2/c19-11-14(12-20)18-10-17(13-6-2-1-3-7-13)15-8-4-5-9-16(15)18/h1-10H.
What are the key properties of 2-(3-phenylinden-1-ylidene)propanedinitrile?
2-(3-phenylinden-1-ylidene)propanedinitrile has a molecular weight of 254.29 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylinden-1-ylidene)propanedinitrile is sourced from PubChem (CID 102364192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).