bis(methylimino)azanium;triphenylazanium

C20H22N4+2 — CID 91061255

IUPACbis(methylimino)azanium;triphenylazanium
SMILESCN=[N+]=NC.c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C2H6N3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-4-2/h1-15H;1-2H3/q;+1/p+1
InChIKeyCUJJJEXMRMQVDV-UHFFFAOYSA-O
MW318.42 g/mol
LogP4.08
Rot. Bonds3

About bis(methylimino)azanium;triphenylazanium

bis(methylimino)azanium;triphenylazanium (PubChem CID 91061255) has the molecular formula C20H22N4+2 and a molecular weight of 318.42 g/mol. Its IUPAC name is bis(methylimino)azanium;triphenylazanium.

Molecular Properties

Compound Namebis(methylimino)azanium;triphenylazanium
PubChem CID91061255
Molecular FormulaC20H22N4+2
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Namebis(methylimino)azanium;triphenylazanium
SMILESCN=[N+]=NC.c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C2H6N3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-4-2/h1-15H;1-2H3/q;+1/p+1
InChIKeyCUJJJEXMRMQVDV-UHFFFAOYSA-O
XLogP4.08
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(methylimino)azanium;triphenylazanium?
The IUPAC name of bis(methylimino)azanium;triphenylazanium (CID 91061255) is bis(methylimino)azanium;triphenylazanium.
What is the SMILES notation for bis(methylimino)azanium;triphenylazanium?
The canonical SMILES for bis(methylimino)azanium;triphenylazanium is CN=[N+]=NC.c1ccc([NH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(methylimino)azanium;triphenylazanium?
The InChIKey is CUJJJEXMRMQVDV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15N.C2H6N3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-4-2/h1-15H;1-2H3/q;+1/p+1.
What are the key properties of bis(methylimino)azanium;triphenylazanium?
bis(methylimino)azanium;triphenylazanium has a molecular weight of 318.42 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylimino)azanium;triphenylazanium is sourced from PubChem (CID 91061255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).