carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)

C20H26N2OTi — CID 58635794

IUPACcarbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)
SMILESCO[N-]C(=C/C(C)=N/c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C17H17N2O.3CH3.Ti/c1-14(18-16-11-7-4-8-12-16)13-17(19-20-2)15-9-5-3-6-10-15;;;;/h3-13H,1-2H3;3*1H3;/q4*-1;+4/b17-13?,18-14+;;;;
InChIKeyUUVYBOSGXITBGY-RDFSXHQASA-N
MW358.31 g/mol
LogP6.10
Rot. Bonds5

About carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)

carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+) (PubChem CID 58635794) has the molecular formula C20H26N2OTi and a molecular weight of 358.31 g/mol. Its IUPAC name is carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+).

Molecular Properties

Compound Namecarbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)
PubChem CID58635794
Molecular FormulaC20H26N2OTi
Molecular Weight358.31 g/mol
Exact Mass358.15
IUPAC Namecarbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)
SMILESCO[N-]C(=C/C(C)=N/c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C17H17N2O.3CH3.Ti/c1-14(18-16-11-7-4-8-12-16)13-17(19-20-2)15-9-5-3-6-10-15;;;;/h3-13H,1-2H3;3*1H3;/q4*-1;+4/b17-13?,18-14+;;;;
InChIKeyUUVYBOSGXITBGY-RDFSXHQASA-N
XLogP6.10
TPSA35.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.31
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N,4-diphenylbut-3-en-2-imine
CID 5382915
gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride
CID 122211060
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
2-N,3-N-diphenylbutane-2,3-diimine;dihydrochloride
CID 172723144
3-phenyliminobutan-2-one
CID 12823040
ethane;methyl N-phenylbenzenecarboximidothioate
CID 90772274
phenyl-[(Z)-2-phenylprop-1-enyl]diazene
CID 102533544
methyl (E)-3-phenylbut-2-enoate
CID 5354835
(Z)-3-hydroxy-N'-(4-methoxyphenyl)-3-phenylprop-2-enimidamide
CID 135399881
[2-cyano-3-(2,6-dimethylphenyl)imino-1-phenylbut-1-enyl]-methylazanide;[3-(2,6-dimethylphenyl)imino-1-phenylbut-1-enyl]-methylazanide;titanium(2+)
CID 58635680
carbon monoxide;(E)-N,4-diphenylbut-3-en-2-imine;iron
CID 11111198
N-(4-phenylphenyl)but-3-en-2-imine
CID 123871939

Frequently Asked Questions

What is the IUPAC name of carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)?
The IUPAC name of carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+) (CID 58635794) is carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+).
What is the SMILES notation for carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)?
The canonical SMILES for carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+) is CO[N-]C(=C/C(C)=N/c1ccccc1)c1ccccc1.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)?
The InChIKey is UUVYBOSGXITBGY-RDFSXHQASA-N. The full InChI is InChI=1S/C17H17N2O.3CH3.Ti/c1-14(18-16-11-7-4-8-12-16)13-17(19-20-2)15-9-5-3-6-10-15;;;;/h3-13H,1-2H3;3*1H3;/q4*-1;+4/b17-13?,18-14+;;;;.
What are the key properties of carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)?
carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+) has a molecular weight of 358.31 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+) is sourced from PubChem (CID 58635794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).