1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

C51H34N4O — CID 171597010

About 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine

1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (PubChem CID 171597010) has the molecular formula C51H34N4O and a molecular weight of 743.01 g/mol. Its IUPAC name is 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

• Compound Name: 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
• PubChem CID: 171597010
• Molecular Formula: C51H34N4O
• Molecular Weight: 743.01 g/mol
• Exact Mass: 742.42
• IUPAC Name: 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c3c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3[2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C51H34N4O/c1-5-15-35(16-6-1)37-27-29-41(30-28-37)55(42-24-13-23-40(33-42)36-17-7-2-8-18-36)43-31-32-44-47(34-43)56-46-26-14-25-45(48(44)46)51-53-49(38-19-9-3-10-20-38)52-50(54-51)39-21-11-4-12-22-39/h1-34H/i1D,2D,5D,6D,7D,8D,13D,14D,15D,16D,17D,18D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D
• InChIKey: UAZDXFIUPKCJGC-UOCFXXEISA-N
• XLogP: 13.58
• TPSA: 55.05 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.01
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

The IUPAC name of 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine (CID 171597010) is 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine.

What is the SMILES notation for 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

The canonical SMILES for 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is [2H]c1c([2H])c([2H])c(-c2c([2H])c([2H])c(N(c3c([2H])c([2H])c([2H])c(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])c3[2H])c3c([2H])c([2H])c4c(oc5c([2H])c([2H])c([2H])c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c54)c3[2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

The InChIKey is UAZDXFIUPKCJGC-UOCFXXEISA-N. The full InChI is InChI=1S/C51H34N4O/c1-5-15-35(16-6-1)37-27-29-41(30-28-37)55(42-24-13-23-40(33-42)36-17-7-2-8-18-36)43-31-32-44-47(34-43)56-46-26-14-25-45(48(44)46)51-53-49(38-19-9-3-10-20-38)52-50(54-51)39-21-11-4-12-22-39/h1-34H/i1D,2D,5D,6D,7D,8D,13D,14D,15D,16D,17D,18D,23D,24D,25D,26D,27D,28D,29D,30D,31D,32D,33D,34D.

What are the key properties of 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine?

1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 743.01 g/mol, XLogP of 13.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,4,6,7,8-hexadeuterio-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-[2,3,4,6-tetradeuterio-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 171597010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).