3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

C20H13N5 — CID 132575209

IUPAC3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESC1=CC2=NC(c3ccccc3)=NC3=NC(c4ccccc4)=NC(=C1)N23
InChIInChI=1S/C20H13N5/c1-3-8-14(9-4-1)18-21-16-12-7-13-17-22-19(15-10-5-2-6-11-15)24-20(23-18)25(16)17/h1-13H
InChIKeyUOLQHFNPBWKGQX-UHFFFAOYSA-N
MW323.36 g/mol
LogP3.37
Rot. Bonds2

About 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene

3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (PubChem CID 132575209) has the molecular formula C20H13N5 and a molecular weight of 323.36 g/mol. Its IUPAC name is 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
PubChem CID132575209
Molecular FormulaC20H13N5
Molecular Weight323.36 g/mol
Exact Mass323.12
IUPAC Name3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
SMILESC1=CC2=NC(c3ccccc3)=NC3=NC(c4ccccc4)=NC(=C1)N23
InChIInChI=1S/C20H13N5/c1-3-8-14(9-4-1)18-21-16-12-7-13-17-22-19(15-10-5-2-6-11-15)24-20(23-18)25(16)17/h1-13H
InChIKeyUOLQHFNPBWKGQX-UHFFFAOYSA-N
XLogP3.37
TPSA52.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The IUPAC name of 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene (CID 132575209) is 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The canonical SMILES for 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is C1=CC2=NC(c3ccccc3)=NC3=NC(c4ccccc4)=NC(=C1)N23.
What is the InChIKey of 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
The InChIKey is UOLQHFNPBWKGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N5/c1-3-8-14(9-4-1)18-21-16-12-7-13-17-22-19(15-10-5-2-6-11-15)24-20(23-18)25(16)17/h1-13H.
What are the key properties of 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene?
3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene has a molecular weight of 323.36 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-diphenyl-2,4,6,8,13-pentazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 132575209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).