2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine

C50H33N3O — CID 167043634

About 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine

2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine (PubChem CID 167043634) has the molecular formula C50H33N3O and a molecular weight of 691.83 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine.

Molecular Properties

• Compound Name: 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
• PubChem CID: 167043634
• Molecular Formula: C50H33N3O
• Molecular Weight: 691.83 g/mol
• Exact Mass: 691.26
• IUPAC Name: 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
• SMILES: c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(oc5ccccc54)c3C3CCc4cc5ccccc5cc4-c4ccccc43)n2)cc1
• InChI: InChI=1S/C50H33N3O/c1-2-13-32(14-3-1)48-51-49(37-23-22-31-12-4-5-15-33(31)29-37)53-50(52-48)43-27-26-42-40-20-10-11-21-45(40)54-47(42)46(43)41-25-24-36-28-34-16-6-7-17-35(34)30-44(36)39-19-9-8-18-38(39)41/h1-23,26-30,41H,24-25H2
• InChIKey: NLKVSJRJEOIQNS-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 51.81 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.83
LogP ≤ 5	12.82
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-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?

The IUPAC name of 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine (CID 167043634) is 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine.

What is the SMILES notation for 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?

The canonical SMILES for 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4ccccc4c3)nc(-c3ccc4c(oc5ccccc54)c3C3CCc4cc5ccccc5cc4-c4ccccc43)n2)cc1.

What is the InChIKey of 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?

The InChIKey is NLKVSJRJEOIQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33N3O/c1-2-13-32(14-3-1)48-51-49(37-23-22-31-12-4-5-15-33(31)29-37)53-50(52-48)43-27-26-42-40-20-10-11-21-45(40)54-47(42)46(43)41-25-24-36-28-34-16-6-7-17-35(34)30-44(36)39-19-9-8-18-38(39)41/h1-23,26-30,41H,24-25H2.

What are the key properties of 2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine?

2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine has a molecular weight of 691.83 g/mol, XLogP of 12.82, 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-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine is sourced from PubChem (CID 167043634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).