9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole

C52H34N4O — CID 166699318

About 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole

9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 166699318) has the molecular formula C52H34N4O and a molecular weight of 730.87 g/mol. Its IUPAC name is 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

• Compound Name: 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
• PubChem CID: 166699318
• Molecular Formula: C52H34N4O
• Molecular Weight: 730.87 g/mol
• Exact Mass: 730.27
• IUPAC Name: 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
• SMILES: c1ccc(-c2nc(-c3cc4c(cc3C3CCc5cc6ccccc6cc5-c5ccccc53)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1
• InChI: InChI=1S/C52H34N4O/c1-2-14-32(15-3-1)50-53-51(55-52(54-50)56-46-23-11-8-20-39(46)40-21-9-12-24-47(40)56)45-30-44-41-22-10-13-25-48(41)57-49(44)31-43(45)38-27-26-35-28-33-16-4-5-17-34(33)29-42(35)37-19-7-6-18-36(37)38/h1-25,28-31,38H,26-27H2
• InChIKey: IKXYLWSELRYCMY-UHFFFAOYSA-N
• XLogP: 13.10
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	730.87
LogP ≤ 5	13.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?

The IUPAC name of 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole (CID 166699318) is 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole.

What is the SMILES notation for 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?

The canonical SMILES for 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2nc(-c3cc4c(cc3C3CCc5cc6ccccc6cc5-c5ccccc53)oc3ccccc34)nc(-n3c4ccccc4c4ccccc43)n2)cc1.

What is the InChIKey of 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?

The InChIKey is IKXYLWSELRYCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O/c1-2-14-32(15-3-1)50-53-51(55-52(54-50)56-46-23-11-8-20-39(46)40-21-9-12-24-47(40)56)45-30-44-41-22-10-13-25-48(41)57-49(44)31-43(45)38-27-26-35-28-33-16-4-5-17-34(33)29-42(35)37-19-7-6-18-36(37)38/h1-25,28-31,38H,26-27H2.

What are the key properties of 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole?

9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 730.87 g/mol, XLogP of 13.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166699318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).