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

C55H34N4O — CID 166495749

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

9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole (PubChem CID 166495749) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole
• PubChem CID: 166495749
• Molecular Formula: C55H34N4O
• Molecular Weight: 766.90 g/mol
• Exact Mass: 766.27
• IUPAC Name: 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole
• SMILES: c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)cc1
• InChI: InChI=1S/C55H34N4O/c1-4-15-35(16-5-1)40-29-30-47-45(32-40)43-23-12-13-25-46(43)59(47)48-33-42(36-17-6-2-7-18-36)34-50-52(48)51-44(24-14-26-49(51)60-50)55-57-53(38-20-8-3-9-21-38)56-54(58-55)41-28-27-37-19-10-11-22-39(37)31-41/h1-34H
• InChIKey: MPWCTALSOQETAU-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 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole?

The IUPAC name of 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole (CID 166495749) is 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole.

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

The canonical SMILES for 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole is c1ccc(-c2cc(-n3c4ccccc4c4cc(-c5ccccc5)ccc43)c3c(c2)oc2cccc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)c23)cc1.

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

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

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

9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-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 9-[9-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenyldibenzofuran-1-yl]-3-phenylcarbazole is sourced from PubChem (CID 166495749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).