9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole

C55H34N4O — CID 166496041

About 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole

9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole (PubChem CID 166496041) has the molecular formula C55H34N4O and a molecular weight of 766.90 g/mol. Its IUPAC name is 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
• PubChem CID: 166496041
• Molecular Formula: C55H34N4O
• Molecular Weight: 766.90 g/mol
• Exact Mass: 766.27
• IUPAC Name: 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)c3c2oc2cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1
• InChI: InChI=1S/C55H34N4O/c1-4-14-35(15-5-1)40-27-30-48-46(33-40)44-22-12-13-23-47(44)59(48)49-31-29-43(37-17-6-2-7-18-37)51-45-28-26-42(34-50(45)60-52(49)51)55-57-53(38-19-8-3-9-20-38)56-54(58-55)41-25-24-36-16-10-11-21-39(36)32-41/h1-34H
• InChIKey: FQSKLJLTDZXYHS-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-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole?

The IUPAC name of 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole (CID 166496041) is 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole.

What is the SMILES notation for 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole?

The canonical SMILES for 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccccc3)c3c2oc2cc(-c4nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n4)ccc23)cc1.

What is the InChIKey of 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole?

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

What are the key properties of 9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole?

9-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-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-[7-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-1-phenyldibenzofuran-4-yl]-3-phenylcarbazole is sourced from PubChem (CID 166496041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).