2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene

C19H16N3+ — CID 23590331

IUPAC2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene
SMILESC1=[N+](c2ccccc2)C2N(c3ccccc3)Cc3ccc1n32
InChIInChI=1S/C19H16N3/c1-3-7-15(8-4-1)20-13-17-11-12-18-14-21(19(20)22(17)18)16-9-5-2-6-10-16/h1-13,19H,14H2/q+1
InChIKeyVNGQZVIGYQZAHD-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.74
Rot. Bonds2

About 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene

2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene (PubChem CID 23590331) has the molecular formula C19H16N3+ and a molecular weight of 286.36 g/mol. Its IUPAC name is 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene.

Molecular Properties

Compound Name2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene
PubChem CID23590331
Molecular FormulaC19H16N3+
Molecular Weight286.36 g/mol
Exact Mass286.13
IUPAC Name2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene
SMILESC1=[N+](c2ccccc2)C2N(c3ccccc3)Cc3ccc1n32
InChIInChI=1S/C19H16N3/c1-3-7-15(8-4-1)20-13-17-11-12-18-14-21(19(20)22(17)18)16-9-5-2-6-10-16/h1-13,19H,14H2/q+1
InChIKeyVNGQZVIGYQZAHD-UHFFFAOYSA-N
XLogP3.74
TPSA11.18 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene?
The IUPAC name of 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene (CID 23590331) is 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene.
What is the SMILES notation for 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene?
The canonical SMILES for 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene is C1=[N+](c2ccccc2)C2N(c3ccccc3)Cc3ccc1n32.
What is the InChIKey of 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene?
The InChIKey is VNGQZVIGYQZAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N3/c1-3-7-15(8-4-1)20-13-17-11-12-18-14-21(19(20)22(17)18)16-9-5-2-6-10-16/h1-13,19H,14H2/q+1.
What are the key properties of 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene?
2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene has a molecular weight of 286.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-9,10-diaza-2-azoniatricyclo[5.2.1.04,10]deca-2,4,6-triene is sourced from PubChem (CID 23590331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).