2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine

C51H31N3O — CID 170183169

About 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine (PubChem CID 170183169) has the molecular formula C51H31N3O and a molecular weight of 701.83 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine
• PubChem CID: 170183169
• Molecular Formula: C51H31N3O
• Molecular Weight: 701.83 g/mol
• Exact Mass: 701.25
• IUPAC Name: 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2ccc3cc(-c4nc(-c5ccc6c(c5)-c5cccc7c(-c8ccccc8)ccc(c57)O6)nc(-c5ccc6ccccc6c5)n4)ccc3c2)cc1
• InChI: InChI=1S/C51H31N3O/c1-3-10-32(11-4-1)36-19-20-38-30-40(23-21-37(38)28-36)50-52-49(39-22-18-33-12-7-8-15-35(33)29-39)53-51(54-50)41-24-26-46-45(31-41)44-17-9-16-43-42(34-13-5-2-6-14-34)25-27-47(55-46)48(43)44/h1-31H
• InChIKey: NHCPUUGVYTWJAE-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.83
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine (CID 170183169) is 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine is c1ccc(-c2ccc3cc(-c4nc(-c5ccc6c(c5)-c5cccc7c(-c8ccccc8)ccc(c57)O6)nc(-c5ccc6ccccc6c5)n4)ccc3c2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine?

The InChIKey is NHCPUUGVYTWJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O/c1-3-10-32(11-4-1)36-19-20-38-30-40(23-21-37(38)28-36)50-52-49(39-22-18-33-12-7-8-15-35(33)29-39)53-51(54-50)41-24-26-46-45(31-41)44-17-9-16-43-42(34-13-5-2-6-14-34)25-27-47(55-46)48(43)44/h1-31H.

What are the key properties of 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine?

2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine has a molecular weight of 701.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-naphthalen-2-yl-4-(6-phenylnaphthalen-2-yl)-6-(12-phenyl-8-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-4-yl)-1,3,5-triazine is sourced from PubChem (CID 170183169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).