5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole

C51H30N4O — CID 166699141

About 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole

5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166699141) has the molecular formula C51H30N4O and a molecular weight of 714.83 g/mol. Its IUPAC name is 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

• Compound Name: 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
• PubChem CID: 166699141
• Molecular Formula: C51H30N4O
• Molecular Weight: 714.83 g/mol
• Exact Mass: 714.24
• IUPAC Name: 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
• SMILES: c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc2oc3ccccc3c12
• InChI: InChI=1S/C51H30N4O/c1-2-16-34-28-44-42(27-33(34)15-1)38-21-7-9-25-43(38)55(44)45-29-35(30-47-48(45)41-22-8-10-26-46(41)56-47)49-52-50(39-23-11-17-31-13-3-5-19-36(31)39)54-51(53-49)40-24-12-18-32-14-4-6-20-37(32)40/h1-30H
• InChIKey: CGDGDIOUSIDZJJ-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.83
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?

The IUPAC name of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole (CID 166699141) is 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole.

What is the SMILES notation for 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?

The canonical SMILES for 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is c1ccc2cc3c(cc2c1)c1ccccc1n3-c1cc(-c2nc(-c3cccc4ccccc34)nc(-c3cccc4ccccc34)n2)cc2oc3ccccc3c12.

What is the InChIKey of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?

The InChIKey is CGDGDIOUSIDZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O/c1-2-16-34-28-44-42(27-33(34)15-1)38-21-7-9-25-43(38)55(44)45-29-35(30-47-48(45)41-22-8-10-26-46(41)56-47)49-52-50(39-23-11-17-31-13-3-5-19-36(31)39)54-51(53-49)40-24-12-18-32-14-4-6-20-37(32)40/h1-30H.

What are the key properties of 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole?

5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 714.83 g/mol, XLogP of 13.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166699141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).