3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole

C55H34N4O — CID 154602051

About 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole (PubChem CID 154602051) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
• PubChem CID: 154602051
• Molecular Formula: C55H34N4O
• Molecular Weight: 766.90 g/mol
• Exact Mass: 766.27
• IUPAC Name: 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8cccc9ccccc89)ccc6n7-c6ccccc6)cc5c34)n2)cc1
• InChI: InChI=1S/C55H34N4O/c1-4-15-36(16-5-1)53-56-54(37-17-6-2-7-18-37)58-55(57-53)44-24-13-25-51-52(44)47-33-39(28-31-50(47)60-51)38-26-29-48-45(32-38)46-34-40(43-23-12-19-35-14-10-11-22-42(35)43)27-30-49(46)59(48)41-20-8-3-9-21-41/h1-34H
• InChIKey: SJIYBXJLDOWDFM-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.90
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole?

The IUPAC name of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole (CID 154602051) is 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole.

What is the SMILES notation for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole?

The canonical SMILES for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5ccc(-c6ccc7c(c6)c6cc(-c8cccc9ccccc89)ccc6n7-c6ccccc6)cc5c34)n2)cc1.

What is the InChIKey of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole?

The InChIKey is SJIYBXJLDOWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N4O/c1-4-15-36(16-5-1)53-56-54(37-17-6-2-7-18-37)58-55(57-53)44-24-13-25-51-52(44)47-33-39(28-31-50(47)60-51)38-26-29-48-45(32-38)46-34-40(43-23-12-19-35-14-10-11-22-42(35)43)27-30-49(46)59(48)41-20-8-3-9-21-41/h1-34H.

What are the key properties of 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole?

3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole has a molecular weight of 766.90 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-naphthalen-1-yl-9-phenylcarbazole is sourced from PubChem (CID 154602051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).