2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate

C16H14N2O — CID 13016315

IUPAC2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate
SMILESCC1C([O-])=N[N+]1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-16(19)17-18(12)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyFZBUICPNQSQCLD-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.61
Rot. Bonds2

About 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate

2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate (PubChem CID 13016315) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate.

Molecular Properties

Compound Name2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate
PubChem CID13016315
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate
SMILESCC1C([O-])=N[N+]1=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N2O/c1-12-16(19)17-18(12)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3
InChIKeyFZBUICPNQSQCLD-UHFFFAOYSA-N
XLogP1.61
TPSA38.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
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

Pyrazine, 2,3-dihydro-5,6-diphenyl-2-methyl-
CID 98291
1,2-Ethanediamine, N,N'-bis(1-phenylethylidene)-, (E,E)-
CID 11414406
2-benzhydrylidene-3H-diazet-2-ium-4-olate
CID 12869026
N-(diphenyl-methylidene)ethylamine
CID 12347241
1,1-Diphenyl-N-propylmethanimine
CID 13467391
1,2-diphenyl-N,N'-di(propan-2-yl)ethane-1,2-diimine
CID 13804818
2-N-benzhydrylidene-4-fluoro-1-N-methylbutane-1,2-diimine
CID 124010855
3-N-benzhydrylidene-5-fluoropentane-2,3-diimine
CID 130255227
2-(Benzhydrylideneamino)propanenitrile
CID 15092009
N-[(Z)-1,2-diphenylethylideneamino]-N-methylmethanamine
CID 5382906
(2Z)-2-benzylidene-3H-diazet-2-ium-4-olate
CID 12869034
(2E)-2-(1-phenylethylidene)-3H-diazet-2-ium-4-olate
CID 12869044

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate?
The IUPAC name of 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate (CID 13016315) is 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate.
What is the SMILES notation for 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate?
The canonical SMILES for 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate is CC1C([O-])=N[N+]1=C(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate?
The InChIKey is FZBUICPNQSQCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-16(19)17-18(12)15(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-12H,1H3.
What are the key properties of 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate?
2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate has a molecular weight of 250.30 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylidene-3-methyl-3H-diazet-2-ium-4-olate is sourced from PubChem (CID 13016315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).