2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

C59H37N3O — CID 171731204

About 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine

2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 171731204) has the molecular formula C59H37N3O and a molecular weight of 814.03 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
• PubChem CID: 171731204
• Molecular Formula: C59H37N3O
• Molecular Weight: 814.03 g/mol
• Exact Mass: 813.36
• IUPAC Name: 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine
• SMILES: [2H]c1c([2H])c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccc5ccccc5c4)c3)n2)c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4cccc5oc6ccccc6c45)c([2H])c([2H])c3c2[2H])c1[2H]
• InChI: InChI=1S/C59H37N3O/c1-2-12-38(13-3-1)41-16-8-19-49(35-41)57-60-58(50-20-9-17-42(36-50)44-27-26-39-14-4-5-15-40(39)32-44)62-59(61-57)51-21-10-18-43(37-51)45-28-29-47-34-48(31-30-46(47)33-45)52-23-11-25-55-56(52)53-22-6-7-24-54(53)63-55/h1-37H/i10D,18D,21D,28D,29D,30D,31D,33D,34D,37D
• InChIKey: CMCDPJSOJNNAHW-PFNKJNFYSA-N
• XLogP: 15.75
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.03
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

The IUPAC name of 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine (CID 171731204) is 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine.

What is the SMILES notation for 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

The canonical SMILES for 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is [2H]c1c([2H])c(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc(-c4ccc5ccccc5c4)c3)n2)c([2H])c(-c2c([2H])c([2H])c3c([2H])c(-c4cccc5oc6ccccc6c45)c([2H])c([2H])c3c2[2H])c1[2H].

What is the InChIKey of 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

The InChIKey is CMCDPJSOJNNAHW-PFNKJNFYSA-N. The full InChI is InChI=1S/C59H37N3O/c1-2-12-38(13-3-1)41-16-8-19-49(35-41)57-60-58(50-20-9-17-42(36-50)44-27-26-39-14-4-5-15-40(39)32-44)62-59(61-57)51-21-10-18-43(37-51)45-28-29-47-34-48(31-30-46(47)33-45)52-23-11-25-55-56(52)53-22-6-7-24-54(53)63-55/h1-37H/i10D,18D,21D,28D,29D,30D,31D,33D,34D,37D.

What are the key properties of 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine?

2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 814.03 g/mol, XLogP of 15.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[2,3,4,6-tetradeuterio-5-(1,3,4,5,7,8-hexadeuterio-6-dibenzofuran-1-ylnaphthalen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 171731204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).