8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C32H20N6O — CID 69285118

About 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 69285118) has the molecular formula C32H20N6O and a molecular weight of 504.55 g/mol. Its IUPAC name is 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

• Compound Name: 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• PubChem CID: 69285118
• Molecular Formula: C32H20N6O
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.17
• IUPAC Name: 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
• SMILES: C1=Nc2c(n(-c3ccc4oc5ccc(-n6c7cccnc7c7ncccc76)cc5c4c3)c3cccnc23)CC1
• InChI: InChI=1S/C32H20N6O/c1-5-23-29(33-13-1)30-24(6-2-14-34-30)37(23)19-9-11-27-21(17-19)22-18-20(10-12-28(22)39-27)38-25-7-3-15-35-31(25)32-26(38)8-4-16-36-32/h1-3,5-7,9-18H,4,8H2
• InChIKey: IKNNPCPRGFCOSD-UHFFFAOYSA-N
• XLogP: 7.46
• TPSA: 74.03 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	7.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The IUPAC name of 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 69285118) is 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

What is the SMILES notation for 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The canonical SMILES for 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is C1=Nc2c(n(-c3ccc4oc5ccc(-n6c7cccnc7c7ncccc76)cc5c4c3)c3cccnc23)CC1.

What is the InChIKey of 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

The InChIKey is IKNNPCPRGFCOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N6O/c1-5-23-29(33-13-1)30-24(6-2-14-34-30)37(23)19-9-11-27-21(17-19)22-18-20(10-12-28(22)39-27)38-25-7-3-15-35-31(25)32-26(38)8-4-16-36-32/h1-3,5-7,9-18H,4,8H2.

What are the key properties of 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?

8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 504.55 g/mol, XLogP of 7.46, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[8-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)dibenzofuran-2-yl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 69285118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).