14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

C92H56N12O2 — CID 159903997

About 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene

14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (PubChem CID 159903997) has the molecular formula C92H56N12O2 and a molecular weight of 1361.54 g/mol. Its IUPAC name is 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

Molecular Properties

• Compound Name: 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• PubChem CID: 159903997
• Molecular Formula: C92H56N12O2
• Molecular Weight: 1361.54 g/mol
• Exact Mass: 1360.46
• IUPAC Name: 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(N6c7ccccc7-c7ccccc7-n7c6nc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(N6c7ccccc7-c7ccccc7-n7c6nc6ccccc67)cc5c34)n2)cc1
• InChI: InChI=1S/2C46H28N6O/c1-3-14-29(15-4-1)43-48-44(30-16-5-2-6-17-30)50-45(49-43)34-20-13-25-41-42(34)35-28-31(26-27-40(35)53-41)51-37-22-10-7-18-32(37)33-19-8-11-23-38(33)52-39-24-12-9-21-36(39)47-46(51)52;1-3-13-29(14-4-1)43-48-44(30-15-5-2-6-16-30)50-45(49-43)31-23-25-41-35(27-31)36-28-32(24-26-42(36)53-41)51-38-20-10-7-17-33(38)34-18-8-11-21-39(34)52-40-22-12-9-19-37(40)47-46(51)52/h2*1-28H
• InChIKey: NWICSDNIBGNTRE-UHFFFAOYSA-N
• XLogP: 23.12
• TPSA: 145.74 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1361.54
LogP ≤ 5	23.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The IUPAC name of 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene (CID 159903997) is 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene.

What is the SMILES notation for 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The canonical SMILES for 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5ccc(N6c7ccccc7-c7ccccc7-n7c6nc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(N6c7ccccc7-c7ccccc7-n7c6nc6ccccc67)cc5c34)n2)cc1.

What is the InChIKey of 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

The InChIKey is NWICSDNIBGNTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N6O/c1-3-14-29(15-4-1)43-48-44(30-16-5-2-6-17-30)50-45(49-43)34-20-13-25-41-42(34)35-28-31(26-27-40(35)53-41)51-37-22-10-7-18-32(37)33-19-8-11-23-38(33)52-39-24-12-9-21-36(39)47-46(51)52;1-3-13-29(14-4-1)43-48-44(30-15-5-2-6-16-30)50-45(49-43)31-23-25-41-35(27-31)36-28-32(24-26-42(36)53-41)51-38-20-10-7-17-33(38)34-18-8-11-21-39(34)52-40-22-12-9-19-37(40)47-46(51)52/h2*1-28H.

What are the key properties of 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene?

14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene has a molecular weight of 1361.54 g/mol, XLogP of 23.12, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene;14-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-1,14,16-triazapentacyclo[13.7.0.02,7.08,13.017,22]docosa-2,4,6,8,10,12,15,17,19,21-decaene is sourced from PubChem (CID 159903997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).