dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)

C45H48Li2N6+2 — CID 50933370

IUPACdilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
SMILESCc1ccc(/N=C/Nc2ccc(C)cc2)cc1.Cc1ccc(/N=C/Nc2ccc(C)cc2)cc1.Cc1ccc(/N=C/Nc2ccc(C)cc2)cc1.[Li+].[Li+]
InChIInChI=1S/3C15H16N2.2Li/c3*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;;/h3*3-11H,1-2H3,(H,16,17);;/q;;;2*+1
InChIKeyNRVRZVWKCGIIOI-UHFFFAOYSA-N
MW686.80 g/mol
LogP6.23
Rot. Bonds9

About dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)

dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide) (PubChem CID 50933370) has the molecular formula C45H48Li2N6+2 and a molecular weight of 686.80 g/mol. Its IUPAC name is dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide).

Molecular Properties

Compound Namedilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
PubChem CID50933370
Molecular FormulaC45H48Li2N6+2
Molecular Weight686.80 g/mol
Exact Mass686.42
IUPAC Namedilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
SMILESCc1ccc(/N=C/Nc2ccc(C)cc2)cc1.Cc1ccc(/N=C/Nc2ccc(C)cc2)cc1.Cc1ccc(/N=C/Nc2ccc(C)cc2)cc1.[Li+].[Li+]
InChIInChI=1S/3C15H16N2.2Li/c3*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;;/h3*3-11H,1-2H3,(H,16,17);;/q;;;2*+1
InChIKeyNRVRZVWKCGIIOI-UHFFFAOYSA-N
XLogP6.23
TPSA73.17 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.80
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(4-fluorophenyl)methanimidamide
CID 101435045
N-[(Z)-2-chloro-3-(4-methylphenyl)iminoprop-1-enyl]-4-methylaniline
CID 14710111
N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide
CID 525798
4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide
CID 71586518
CID 164584881
CID 164584881
4-methyl-N-[(E)-3-(4-methylphenyl)imino-2-nitroprop-1-enyl]aniline
CID 776470
ethane;N-(4-methylphenyl)formamide
CID 142066401
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
N-[4-(4-methylphenyl)phenyl]formamide
CID 87370886
N-(4-methylphenyl)but-2-en-1-imine
CID 71345693
bis(4-methylphenyl)diazene
CID 10389

Frequently Asked Questions

What is the IUPAC name of dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)?
The IUPAC name of dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide) (CID 50933370) is dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide).
What is the SMILES notation for dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)?
The canonical SMILES for dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide) is Cc1ccc(/N=C/Nc2ccc(C)cc2)cc1.Cc1ccc(/N=C/Nc2ccc(C)cc2)cc1.Cc1ccc(/N=C/Nc2ccc(C)cc2)cc1.[Li+].[Li+].
What is the InChIKey of dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)?
The InChIKey is NRVRZVWKCGIIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H16N2.2Li/c3*1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;;/h3*3-11H,1-2H3,(H,16,17);;/q;;;2*+1.
What are the key properties of dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)?
dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide) has a molecular weight of 686.80 g/mol, XLogP of 6.23, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide) is sourced from PubChem (CID 50933370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).