2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine

C43H25N3O2 — CID 171430765

About 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine

2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine (PubChem CID 171430765) has the molecular formula C43H25N3O2 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
• PubChem CID: 171430765
• Molecular Formula: C43H25N3O2
• Molecular Weight: 624.75 g/mol
• Exact Mass: 624.25
• IUPAC Name: 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine
• SMILES: [2H]c1c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)n2)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H]
• InChI: InChI=1S/C43H25N3O2/c1-3-12-26(13-4-1)30-24-25-34(38-31-18-9-10-20-35(31)47-40(30)38)43-45-41(28-15-5-2-6-16-28)44-42(46-43)33-19-11-21-36-37(33)32-23-22-27-14-7-8-17-29(27)39(32)48-36/h1-25H/i7D,8D,11D,14D,17D,19D,21D,22D,23D
• InChIKey: PYSGTIVIPLLEIY-OBNGVCTNSA-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	624.75
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?

The IUPAC name of 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine (CID 171430765) is 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?

The canonical SMILES for 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine is [2H]c1c([2H])c(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4)c4oc5ccccc5c34)n2)c2c(oc3c4c([2H])c([2H])c([2H])c([2H])c4c([2H])c([2H])c32)c1[2H].

What is the InChIKey of 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?

The InChIKey is PYSGTIVIPLLEIY-OBNGVCTNSA-N. The full InChI is InChI=1S/C43H25N3O2/c1-3-12-26(13-4-1)30-24-25-34(38-31-18-9-10-20-35(31)47-40(30)38)43-45-41(28-15-5-2-6-16-28)44-42(46-43)33-19-11-21-36-37(33)32-23-22-27-14-7-8-17-29(27)39(32)48-36/h1-25H/i7D,8D,11D,14D,17D,19D,21D,22D,23D.

What are the key properties of 2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine?

2-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine has a molecular weight of 624.75 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-(1,2,3,4,5,6,8,9,10-nonadeuterionaphtho[1,2-b][1]benzofuran-7-yl)-4-phenyl-6-(4-phenyldibenzofuran-1-yl)-1,3,5-triazine is sourced from PubChem (CID 171430765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).