gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride

C27H21Cl2GaN2 — CID 122211060

IUPACgallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride
SMILESC(/C(=N/c1ccccc1)c1ccccc1)=C(\[N-]c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ga+3]
InChIInChI=1S/C27H21N2.2ClH.Ga/c1-5-13-22(14-6-1)26(28-24-17-9-3-10-18-24)21-27(23-15-7-2-8-16-23)29-25-19-11-4-12-20-25;;;/h1-21H;2*1H;/q-1;;;+3/p-2/b26-21+,29-27-;;;
InChIKeyGKKMBFYAXLQJJA-NAXCXADBSA-L
MW514.11 g/mol
LogP1.18
Rot. Bonds6

About gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride

gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride (PubChem CID 122211060) has the molecular formula C27H21Cl2GaN2 and a molecular weight of 514.11 g/mol. Its IUPAC name is gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride.

Molecular Properties

Compound Namegallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride
PubChem CID122211060
Molecular FormulaC27H21Cl2GaN2
Molecular Weight514.11 g/mol
Exact Mass512.03
IUPAC Namegallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride
SMILESC(/C(=N/c1ccccc1)c1ccccc1)=C(\[N-]c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ga+3]
InChIInChI=1S/C27H21N2.2ClH.Ga/c1-5-13-22(14-6-1)26(28-24-17-9-3-10-18-24)21-27(23-15-7-2-8-16-23)29-25-19-11-4-12-20-25;;;/h1-21H;2*1H;/q-1;;;+3/p-2/b26-21+,29-27-;;;
InChIKeyGKKMBFYAXLQJJA-NAXCXADBSA-L
XLogP1.18
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.11
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis((C,N-diphenylcarbonimidoyl)-phenylazanide);palladium(2+)
CID 139129664
2-(12-oxatetracyclo[6.3.1.02,7.09,11]dodeca-2,4,6-trien-10-ylidene)-N,1-diphenylethanimine
CID 135026403
carbanide;methoxy-(1-phenyl-3-phenyliminobut-1-enyl)azanide;titanium(4+)
CID 58635794
[(E,3Z)-1,3-diphenyl-3-trimethylsilyliminoprop-1-enyl]-trimethylsilylazanide
CID 177406354
4-[[(Z)-3-amino-6-methyl-1-phenylhept-2-enylidene]amino]benzoic acid
CID 177190557
3-(4-bromophenyl)sulfanyl-N,1-diphenylprop-2-en-1-imine
CID 74438019
(C,N-diphenylcarbonimidoyl)-(4-methylphenyl)azanide;phenylmercury(1+)
CID 6915725
sodium N-phenylbenzenecarboximidate
CID 101478237
(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
CID 136643584
dodecakis((N,N-dimethyl-N'-phenylcarbamimidoyl)-phenylazanide);tetrakis(iridium);tetrahexafluorophosphate
CID 139115553
N,3-diphenyl-1-pyridin-2-yl-3-triethylsilyloxyprop-2-en-1-imine
CID 58635708
CID 11093162
CID 11093162

Frequently Asked Questions

What is the IUPAC name of gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride?
The IUPAC name of gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride (CID 122211060) is gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride.
What is the SMILES notation for gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride?
The canonical SMILES for gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride is C(/C(=N/c1ccccc1)c1ccccc1)=C(\[N-]c1ccccc1)c1ccccc1.[Cl-].[Cl-].[Ga+3].
What is the InChIKey of gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride?
The InChIKey is GKKMBFYAXLQJJA-NAXCXADBSA-L. The full InChI is InChI=1S/C27H21N2.2ClH.Ga/c1-5-13-22(14-6-1)26(28-24-17-9-3-10-18-24)21-27(23-15-7-2-8-16-23)29-25-19-11-4-12-20-25;;;/h1-21H;2*1H;/q-1;;;+3/p-2/b26-21+,29-27-;;;.
What are the key properties of gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride?
gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride has a molecular weight of 514.11 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;[(E)-1,3-diphenyl-3-phenyliminoprop-1-enyl]-phenylazanide;dichloride is sourced from PubChem (CID 122211060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).