2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate

C17H16N2O — CID 12869048

IUPAC2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate
SMILES[O-]C1=N[N+](=C(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C17H16N2O/c20-17-13-19(18-17)16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyVRDGKQYJNKRIMQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.61
Rot. Bonds4

About 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate

2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate (PubChem CID 12869048) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate.

Molecular Properties

Compound Name2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate
PubChem CID12869048
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate
SMILES[O-]C1=N[N+](=C(Cc2ccccc2)Cc2ccccc2)C1
InChIInChI=1S/C17H16N2O/c20-17-13-19(18-17)16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyVRDGKQYJNKRIMQ-UHFFFAOYSA-N
XLogP1.61
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-benzhydrylidene-3H-diazet-2-ium-4-olate
CID 12869026
N-(1,3-diphenylpropan-2-ylideneamino)-N-methylmethanamine
CID 290953
(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate
CID 12869044
(2Z)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate
CID 12869046
2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate
CID 13016315
2-Benzhydrylidene-3,4-dihydropyrazol-2-ium-5-olate
CID 13017092
2-benzhydrylidene-4,4-dimethyl-3H-pyrazol-2-ium-5-olate
CID 13017096
1-Benzhydrylidene-4,4-dimethyldiazet-1-ium-3-olate
CID 13125394
(2E)-2-(1-phenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate
CID 13125402
(2Z)-2-(1-phenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate
CID 13125404
(1Z)-4,4-dimethyl-1-(1-phenylpropan-2-ylidene)diazet-1-ium-3-olate
CID 13125422
(1E)-4,4-dimethyl-1-(1-phenylpropan-2-ylidene)diazet-1-ium-3-olate
CID 13125424

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate?
The IUPAC name of 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate (CID 12869048) is 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate.
What is the SMILES notation for 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate?
The canonical SMILES for 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate is [O-]C1=N[N+](=C(Cc2ccccc2)Cc2ccccc2)C1.
What is the InChIKey of 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate?
The InChIKey is VRDGKQYJNKRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c20-17-13-19(18-17)16(11-14-7-3-1-4-8-14)12-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate?
2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate has a molecular weight of 264.33 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpropan-2-ylidene)-3H-diazet-2-ium-4-olate is sourced from PubChem (CID 12869048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).