2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine

C41H25N3O — CID 170182884

About 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine (PubChem CID 170182884) has the molecular formula C41H25N3O and a molecular weight of 575.67 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine
• PubChem CID: 170182884
• Molecular Formula: C41H25N3O
• Molecular Weight: 575.67 g/mol
• Exact Mass: 575.20
• IUPAC Name: 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3Oc3ccc(-c5ccccc5)c5cccc-4c35)n2)cc1
• InChI: InChI=1S/C41H25N3O/c1-3-12-27(13-4-1)31-23-24-36-37-32(31)17-9-18-33(37)34-19-10-20-35(38(34)45-36)41-43-39(28-14-5-2-6-15-28)42-40(44-41)30-22-21-26-11-7-8-16-29(26)25-30/h1-25H
• InChIKey: CWUDPQBTMWJVSI-UHFFFAOYSA-N
• XLogP: 10.62
• TPSA: 47.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.67
LogP ≤ 5	10.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine (CID 170182884) is 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3cccc4c3Oc3ccc(-c5ccccc5)c5cccc-4c35)n2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine?

The InChIKey is CWUDPQBTMWJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N3O/c1-3-12-27(13-4-1)31-23-24-36-37-32(31)17-9-18-33(37)34-19-10-20-35(38(34)45-36)41-43-39(28-14-5-2-6-15-28)42-40(44-41)30-22-21-26-11-7-8-16-29(26)25-30/h1-25H.

What are the key properties of 2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine?

2-naphthalen-2-yl-4-phenyl-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-6-yl)-1,3,5-triazine has a molecular weight of 575.67 g/mol, XLogP of 10.62, 4 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-phenyl-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-6-yl)-1,3,5-triazine is sourced from PubChem (CID 170182884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).