[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)

C16H22N2V — CID 144892994

IUPAC[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)
SMILESC/C=C([N-]C)\C(=C/C)C(=[N-])c1ccccc1.CC.[V+2]
InChIInChI=1S/C14H16N2.C2H6.V/c1-4-12(13(5-2)16-3)14(15)11-9-7-6-8-10-11;1-2;/h4-10H,1-3H3;1-2H3;/q-2;;+2/b12-4+,13-5+;;
InChIKeyOEWQEYOQPWNEFO-SRVGNKHJSA-N
MW293.31 g/mol
LogP4.92
Rot. Bonds4

About [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)

[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) (PubChem CID 144892994) has the molecular formula C16H22N2V and a molecular weight of 293.31 g/mol. Its IUPAC name is [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+).

Molecular Properties

Compound Name[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)
PubChem CID144892994
Molecular FormulaC16H22N2V
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)
SMILESC/C=C([N-]C)\C(=C/C)C(=[N-])c1ccccc1.CC.[V+2]
InChIInChI=1S/C14H16N2.C2H6.V/c1-4-12(13(5-2)16-3)14(15)11-9-7-6-8-10-11;1-2;/h4-10H,1-3H3;1-2H3;/q-2;;+2/b12-4+,13-5+;;
InChIKeyOEWQEYOQPWNEFO-SRVGNKHJSA-N
XLogP4.92
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
The IUPAC name of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) (CID 144892994) is [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+).
What is the SMILES notation for [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
The canonical SMILES for [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) is C/C=C([N-]C)\C(=C/C)C(=[N-])c1ccccc1.CC.[V+2].
What is the InChIKey of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
The InChIKey is OEWQEYOQPWNEFO-SRVGNKHJSA-N. The full InChI is InChI=1S/C14H16N2.C2H6.V/c1-4-12(13(5-2)16-3)14(15)11-9-7-6-8-10-11;1-2;/h4-10H,1-3H3;1-2H3;/q-2;;+2/b12-4+,13-5+;;.
What are the key properties of [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+)?
[(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) has a molecular weight of 293.31 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-4-[azanidylidene(phenyl)methyl]hexa-2,4-dien-3-yl]-methylazanide;ethane;vanadium(2+) is sourced from PubChem (CID 144892994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).