2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

C43H25N3O2 — CID 170941859

About 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine

2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (PubChem CID 170941859) has the molecular formula C43H25N3O2 and a molecular weight of 627.77 g/mol. Its IUPAC name is 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
• PubChem CID: 170941859
• Molecular Formula: C43H25N3O2
• Molecular Weight: 627.77 g/mol
• Exact Mass: 627.27
• IUPAC Name: 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
• SMILES: [2H]c1cc2c(oc3c([2H])cc([2H])c(-c4nc(-c5ccccc5)nc(-c5cccc6c(-c7c([2H])c([2H])c([2H])c8oc9c([2H])c([2H])c([2H])c([2H])c9c78)cccc56)n4)c32)c([2H])c1[2H]
• InChI: InChI=1S/C43H25N3O2/c1-2-12-26(13-3-1)41-44-42(46-43(45-41)34-21-11-25-38-40(34)33-15-5-7-23-36(33)48-38)31-20-9-16-27-28(17-8-18-29(27)31)30-19-10-24-37-39(30)32-14-4-6-22-35(32)47-37/h1-25H/i4D,5D,6D,7D,10D,14D,19D,21D,22D,23D,24D,25D
• InChIKey: BTEDSQRVVQSZNO-SZVIIRCGSA-N
• XLogP: 11.49
• TPSA: 64.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.77
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine (CID 170941859) is 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is [2H]c1cc2c(oc3c([2H])cc([2H])c(-c4nc(-c5ccccc5)nc(-c5cccc6c(-c7c([2H])c([2H])c([2H])c8oc9c([2H])c([2H])c([2H])c([2H])c9c78)cccc56)n4)c32)c([2H])c1[2H].

What is the InChIKey of 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?

The InChIKey is BTEDSQRVVQSZNO-SZVIIRCGSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-2-12-26(13-3-1)41-44-42(46-43(45-41)34-21-11-25-38-40(34)33-15-5-7-23-36(33)48-38)31-20-9-16-27-28(17-8-18-29(27)31)30-19-10-24-37-39(30)32-14-4-6-22-35(32)47-37/h1-25H/i4D,5D,6D,7D,10D,14D,19D,21D,22D,23D,24D,25D.

What are the key properties of 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine?

2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 627.77 g/mol, XLogP of 11.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2,3,4,6,7,8,9-heptadeuteriodibenzofuran-1-yl)naphthalen-1-yl]-4-(2,4,6,7,8-pentadeuteriodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 170941859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).