imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium

C19H16N3+ — CID 6331969

IUPACimino-[phenyl-(4-phenylphenyl)methyl]iminoazanium
SMILESN=[N+]=NC(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N3/c20-22-21-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H/q+1
InChIKeyURKWFWUCUVELTL-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.99
Rot. Bonds4

About imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium

imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium (PubChem CID 6331969) has the molecular formula C19H16N3+ and a molecular weight of 286.36 g/mol. Its IUPAC name is imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium.

Molecular Properties

Compound Nameimino-[phenyl-(4-phenylphenyl)methyl]iminoazanium
PubChem CID6331969
Molecular FormulaC19H16N3+
Molecular Weight286.36 g/mol
Exact Mass286.13
IUPAC Nameimino-[phenyl-(4-phenylphenyl)methyl]iminoazanium
SMILESN=[N+]=NC(c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H16N3/c20-22-21-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H/q+1
InChIKeyURKWFWUCUVELTL-UHFFFAOYSA-N
XLogP4.99
TPSA50.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.99
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 imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium?
The IUPAC name of imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium (CID 6331969) is imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium.
What is the SMILES notation for imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium?
The canonical SMILES for imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium is N=[N+]=NC(c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium?
The InChIKey is URKWFWUCUVELTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N3/c20-22-21-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h1-14,19-20H/q+1.
What are the key properties of imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium?
imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium has a molecular weight of 286.36 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[phenyl-(4-phenylphenyl)methyl]iminoazanium is sourced from PubChem (CID 6331969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).