3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile

C19H10N4 — CID 139240607

IUPAC3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile
SMILESN#CC(=C=N)C(=C1C=CC=C1)C(=C(C#N)C#N)c1ccccc1
InChIInChI=1S/C19H10N4/c20-10-16(11-21)18(14-6-2-1-3-7-14)19(17(12-22)13-23)15-8-4-5-9-15/h1-9,22H
InChIKeyZVHVTEVKYZFCJN-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.61
Rot. Bonds3

About 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile

3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile (PubChem CID 139240607) has the molecular formula C19H10N4 and a molecular weight of 294.32 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile
PubChem CID139240607
Molecular FormulaC19H10N4
Molecular Weight294.32 g/mol
Exact Mass294.09
IUPAC Name3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile
SMILESN#CC(=C=N)C(=C1C=CC=C1)C(=C(C#N)C#N)c1ccccc1
InChIInChI=1S/C19H10N4/c20-10-16(11-21)18(14-6-2-1-3-7-14)19(17(12-22)13-23)15-8-4-5-9-15/h1-9,22H
InChIKeyZVHVTEVKYZFCJN-UHFFFAOYSA-N
XLogP3.61
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1,2-diphenylprop-2-enylidene)propanedinitrile
CID 100995628
2-[2-bromo-3,3-bis(methylsulfanyl)-1-phenylprop-2-enylidene]propanedinitrile
CID 3709213
2-phenyl-3-[4-[[4-(N-phenylanilino)phenyl]diazenyl]phenyl]buta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 101379213
2-(2-deuterio-1-phenylethylidene)propanedinitrile
CID 10797212
N-(1-cyclopenta-2,4-dien-1-ylideneethyl)benzenecarbohydrazonate
CID 4166272
2-(2-deuterioboranylidene-3-oxo-1-phenylbutylidene)propanedinitrile;propane
CID 91218968
ethyl (2E,4E)-2,6-dicyano-7-imino-5-phenylhepta-2,4,6-trienoate
CID 126419157
(Z)-3-hydroxy-2-methyl-3-phenylprop-2-enenitrile
CID 102248734
3-cyano-2-phenylpent-2-enoic acid
CID 174922767
2-[9,10-bis(1,3-dithiol-2-ylidene)anthracen-2-yl]-3-phenylbuta-1,3-diene-1,1,4,4-tetracarbonitrile
CID 71519460
(Z)-2-phenylbut-2-ene-1,1,3-tricarbonitrile
CID 89036790
2-amino-4-iminobuta-1,3-diene-1,1,3-tricarbonitrile
CID 101240294

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile (CID 139240607) is 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile is N#CC(=C=N)C(=C1C=CC=C1)C(=C(C#N)C#N)c1ccccc1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile?
The InChIKey is ZVHVTEVKYZFCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10N4/c20-10-16(11-21)18(14-6-2-1-3-7-14)19(17(12-22)13-23)15-8-4-5-9-15/h1-9,22H.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile?
3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile has a molecular weight of 294.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylidene-5-imino-2-phenylpenta-1,4-diene-1,1,4-tricarbonitrile is sourced from PubChem (CID 139240607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).