dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide

C18H14Li2N2 — CID 177486223

IUPACdilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide
SMILES[CH2-]/C(=N\[N-]c1ccccc1)c1ccc2ccccc2c1.[Li+].[Li+]
InChIInChI=1S/C18H14N2.2Li/c1-14(19-20-18-9-3-2-4-10-18)16-12-11-15-7-5-6-8-17(15)13-16;;/h2-13H,1H2;;/q-2;2*+1/b19-14+;;
InChIKeyMHPWENBDCSYURM-ZWXFCGGNSA-N
MW272.21 g/mol
LogP-0.91
Rot. Bonds3

About dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide

dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide (PubChem CID 177486223) has the molecular formula C18H14Li2N2 and a molecular weight of 272.21 g/mol. Its IUPAC name is dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide.

Molecular Properties

Compound Namedilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide
PubChem CID177486223
Molecular FormulaC18H14Li2N2
Molecular Weight272.21 g/mol
Exact Mass272.15
IUPAC Namedilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide
SMILES[CH2-]/C(=N\[N-]c1ccccc1)c1ccc2ccccc2c1.[Li+].[Li+]
InChIInChI=1S/C18H14N2.2Li/c1-14(19-20-18-9-3-2-4-10-18)16-12-11-15-7-5-6-8-17(15)13-16;;/h2-13H,1H2;;/q-2;2*+1/b19-14+;;
InChIKeyMHPWENBDCSYURM-ZWXFCGGNSA-N
XLogP-0.91
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 5-0.91
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

5-(2-Naphthalenyl)-1,3-diphenyl-2-pyrazoline
CID 11617204
5-(4-Methylphenyl)-3-naphthalen-1-yl-2-phenyl-3,4-dihydropyrazole
CID 2725645
5-(4-Methylphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 14246200
2-Naphthaldehyde phenylhydrazone
CID 9650850
1-Naphthaldehyde phenylhydrazone
CID 618797
1-Phenyl-3-(2-naphthyl)-2-pyrazoline
CID 188968
1-naphthalen-2-yl-N-phenylethanimine
CID 291076
2'-Acetonaphthone phenylhydrazone
CID 5903420
N-[(Z)-(2,2,2-trifluoro-1-phenanthren-9-ylethylidene)amino]aniline
CID 11783447
N-(anthracen-9-ylmethylideneamino)aniline
CID 350375
Benzenamine, N-(2-naphthalenylmethylene)-
CID 1225153
3-(4-Methylphenyl)-5-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 2755330

Frequently Asked Questions

What is the IUPAC name of dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide?
The IUPAC name of dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide (CID 177486223) is dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide.
What is the SMILES notation for dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide?
The canonical SMILES for dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide is [CH2-]/C(=N\[N-]c1ccccc1)c1ccc2ccccc2c1.[Li+].[Li+].
What is the InChIKey of dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide?
The InChIKey is MHPWENBDCSYURM-ZWXFCGGNSA-N. The full InChI is InChI=1S/C18H14N2.2Li/c1-14(19-20-18-9-3-2-4-10-18)16-12-11-15-7-5-6-8-17(15)13-16;;/h2-13H,1H2;;/q-2;2*+1/b19-14+;;.
What are the key properties of dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide?
dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide has a molecular weight of 272.21 g/mol, XLogP of -0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;[(E)-1-naphthalen-2-ylethylideneamino]-phenylazanide is sourced from PubChem (CID 177486223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).