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

C54H33N7O — CID 155050536

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

9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole (PubChem CID 155050536) has the molecular formula C54H33N7O and a molecular weight of 795.91 g/mol. Its IUPAC name is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
• PubChem CID: 155050536
• Molecular Formula: C54H33N7O
• Molecular Weight: 795.91 g/mol
• Exact Mass: 795.27
• IUPAC Name: 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole
• SMILES: c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)n4)c3c2)cc1
• InChI: InChI=1S/C54H33N7O/c1-5-16-34(17-6-1)38-28-30-41-40-24-13-14-26-44(40)61(45(41)33-38)54-59-51(37-22-11-4-12-23-37)56-52(60-54)39-29-31-46-43(32-39)48-42(25-15-27-47(48)62-46)53-57-49(35-18-7-2-8-19-35)55-50(58-53)36-20-9-3-10-21-36/h1-33H
• InChIKey: NOHDYZDOFMCFRK-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 95.41 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.91
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole (CID 155050536) is 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole.

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

The canonical SMILES for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole is c1ccc(-c2ccc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccc6oc7cccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)c7c6c5)n4)c3c2)cc1.

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

The InChIKey is NOHDYZDOFMCFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N7O/c1-5-16-34(17-6-1)38-28-30-41-40-24-13-14-26-44(40)61(45(41)33-38)54-59-51(37-22-11-4-12-23-37)56-52(60-54)39-29-31-46-43(32-39)48-42(25-15-27-47(48)62-46)53-57-49(35-18-7-2-8-19-35)55-50(58-53)36-20-9-3-10-21-36/h1-33H.

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

9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole has a molecular weight of 795.91 g/mol, XLogP of 13.06, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylcarbazole is sourced from PubChem (CID 155050536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).