2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine

C47H29N3O — CID 170183260

About 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine (PubChem CID 170183260) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine
• PubChem CID: 170183260
• Molecular Formula: C47H29N3O
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.23
• IUPAC Name: 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3-c3cccc5c(-c6ccccc6)ccc(c35)O4)n2)cc1
• InChI: InChI=1S/C47H29N3O/c1-3-12-32(13-4-1)37-27-28-42-43-38(37)17-9-18-39(43)44-40(19-10-20-41(44)51-42)47-49-45(33-14-5-2-6-15-33)48-46(50-47)34-24-21-31(22-25-34)36-26-23-30-11-7-8-16-35(30)29-36/h1-29H
• InChIKey: AMCOQMQYDDLCOH-UHFFFAOYSA-N
• XLogP: 12.29
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.77
LogP ≤ 5	12.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine?

The IUPAC name of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine (CID 170183260) is 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine.

What is the SMILES notation for 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine?

The canonical SMILES for 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5ccccc5c4)cc3)nc(-c3cccc4c3-c3cccc5c(-c6ccccc6)ccc(c35)O4)n2)cc1.

What is the InChIKey of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine?

The InChIKey is AMCOQMQYDDLCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H29N3O/c1-3-12-32(13-4-1)37-27-28-42-43-38(37)17-9-18-39(43)44-40(19-10-20-41(44)51-42)47-49-45(33-14-5-2-6-15-33)48-46(50-47)34-24-21-31(22-25-34)36-26-23-30-11-7-8-16-35(30)29-36/h1-29H.

What are the key properties of 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine?

2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine has a molecular weight of 651.77 g/mol, XLogP of 12.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 170183260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).