dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide

C21H18Li2N2 — CID 25129895

IUPACdilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide
SMILES[Li+].[Li+].c1ccc([CH-]/C(Cc2ccccc2)=N\[N-]c2ccccc2)cc1
InChIInChI=1S/C21H18N2.2Li/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)23-22-20-14-8-3-9-15-20;;/h1-16H,17H2;;/q-2;2*+1/b23-21+;;
InChIKeyXDASXZKQLWGQMX-GUSGXMBRSA-N
MW312.27 g/mol
LogP-0.45
Rot. Bonds6

About dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide

dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide (PubChem CID 25129895) has the molecular formula C21H18Li2N2 and a molecular weight of 312.27 g/mol. Its IUPAC name is dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide.

Molecular Properties

Compound Namedilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide
PubChem CID25129895
Molecular FormulaC21H18Li2N2
Molecular Weight312.27 g/mol
Exact Mass312.18
IUPAC Namedilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide
SMILES[Li+].[Li+].c1ccc([CH-]/C(Cc2ccccc2)=N\[N-]c2ccccc2)cc1
InChIInChI=1S/C21H18N2.2Li/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)23-22-20-14-8-3-9-15-20;;/h1-16H,17H2;;/q-2;2*+1/b23-21+;;
InChIKeyXDASXZKQLWGQMX-GUSGXMBRSA-N
XLogP-0.45
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

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1-Phenylethanone 2,2-diphenylhydrazone
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CID 263125
CID 263125
1,5-Diphenyl-3-styryl-2-pyrazoline
CID 5379000
N-[(E)-[(E)-3-(4-methylphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 118706106
Mls002667668
CID 243911
1-(Diphenylmethylene)-2-(4-fluorophenyl)hydrazine
CID 11694956
Benzenamine, N,N'-(1,2-diphenyl-1,2-ethanediylidene)bis-
CID 436963
N,2,2-triphenylethenimine
CID 596998

Frequently Asked Questions

What is the IUPAC name of dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide?
The IUPAC name of dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide (CID 25129895) is dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide.
What is the SMILES notation for dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide?
The canonical SMILES for dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide is [Li+].[Li+].c1ccc([CH-]/C(Cc2ccccc2)=N\[N-]c2ccccc2)cc1.
What is the InChIKey of dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide?
The InChIKey is XDASXZKQLWGQMX-GUSGXMBRSA-N. The full InChI is InChI=1S/C21H18N2.2Li/c1-4-10-18(11-5-1)16-21(17-19-12-6-2-7-13-19)23-22-20-14-8-3-9-15-20;;/h1-16H,17H2;;/q-2;2*+1/b23-21+;;.
What are the key properties of dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide?
dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide has a molecular weight of 312.27 g/mol, XLogP of -0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;[(E)-1,3-diphenylpropan-2-ylideneamino]-phenylazanide is sourced from PubChem (CID 25129895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).