2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane

C23H27N3+2 — CID 91398707

IUPAC2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane
SMILESC1=[N+](c2ccccc2)C2n3c1ccc3C=[N+]2c1ccccc1.CC.CC
InChIInChI=1S/C19H15N3.2C2H6/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;2*1-2/h1-14,19H;2*1-2H3/q+2;;
InChIKeyRYQLBLDRSCODST-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.55
Rot. Bonds2

About 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane

2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane (PubChem CID 91398707) has the molecular formula C23H27N3+2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane.

Molecular Properties

Compound Name2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane
PubChem CID91398707
Molecular FormulaC23H27N3+2
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane
SMILESC1=[N+](c2ccccc2)C2n3c1ccc3C=[N+]2c1ccccc1.CC.CC
InChIInChI=1S/C19H15N3.2C2H6/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;2*1-2/h1-14,19H;2*1-2H3/q+2;;
InChIKeyRYQLBLDRSCODST-UHFFFAOYSA-N
XLogP5.55
TPSA10.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane?
The IUPAC name of 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane (CID 91398707) is 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane.
What is the SMILES notation for 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane?
The canonical SMILES for 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane is C1=[N+](c2ccccc2)C2n3c1ccc3C=[N+]2c1ccccc1.CC.CC.
What is the InChIKey of 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane?
The InChIKey is RYQLBLDRSCODST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3.2C2H6/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;2*1-2/h1-14,19H;2*1-2H3/q+2;;.
What are the key properties of 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane?
2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane has a molecular weight of 345.49 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-10-aza-2,9-diazoniatricyclo[5.2.1.04,10]deca-2,4,6,8-tetraene;ethane is sourced from PubChem (CID 91398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).