2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine

C47H29N3O — CID 164936847

About 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine

2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 164936847) has the molecular formula C47H29N3O and a molecular weight of 651.77 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine
• PubChem CID: 164936847
• Molecular Formula: C47H29N3O
• Molecular Weight: 651.77 g/mol
• Exact Mass: 651.23
• IUPAC Name: 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1
• InChI: InChI=1S/C47H29N3O/c1-2-10-34(11-3-1)45-48-46(50-47(49-45)36-25-21-32(22-26-36)39-16-6-12-31-9-4-5-15-38(31)39)35-23-19-30(20-24-35)37-27-28-40-41-17-7-13-33-14-8-18-42(44(33)41)51-43(40)29-37/h1-29H
• InChIKey: AFZHNLKPXJHLED-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-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine?

The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 164936847) is 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine.

What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine?

The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc5c(c4)Oc4cccc6cccc-5c46)cc3)nc(-c3ccc(-c4cccc5ccccc45)cc3)n2)cc1.

What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine?

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

What are the key properties of 2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine?

2-(4-naphthalen-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-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-1-ylphenyl)-4-[4-(8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 164936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).