9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine

C58H41N5 — CID 130244628

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine (PubChem CID 130244628) has the molecular formula C58H41N5 and a molecular weight of 808.00 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine.

Molecular Properties

• Compound Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine
• PubChem CID: 130244628
• Molecular Formula: C58H41N5
• Molecular Weight: 808.00 g/mol
• Exact Mass: 807.34
• IUPAC Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine
• SMILES: Cc1ccccc1-c1cc2c3ccc(-c4ccccc4)cc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2cc1N(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C58H41N5/c1-40-20-17-18-33-49(40)51-38-52-50-35-34-44(41-21-7-2-8-22-41)37-53(50)63(55(52)39-54(51)62(46-28-13-5-14-29-46)47-30-15-6-16-31-47)48-32-19-27-45(36-48)58-60-56(42-23-9-3-10-24-42)59-57(61-58)43-25-11-4-12-26-43/h2-39H,1H3
• InChIKey: UZKZBNZFEGIONW-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.00
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine?

The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine (CID 130244628) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine.

What is the SMILES notation for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine?

The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine is Cc1ccccc1-c1cc2c3ccc(-c4ccccc4)cc3n(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)c2cc1N(c1ccccc1)c1ccccc1.

What is the InChIKey of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine?

The InChIKey is UZKZBNZFEGIONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N5/c1-40-20-17-18-33-49(40)51-38-52-50-35-34-44(41-21-7-2-8-22-41)37-53(50)63(55(52)39-54(51)62(46-28-13-5-14-29-46)47-30-15-6-16-31-47)48-32-19-27-45(36-48)58-60-56(42-23-9-3-10-24-42)59-57(61-58)43-25-11-4-12-26-43/h2-39H,1H3.

What are the key properties of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine?

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine has a molecular weight of 808.00 g/mol, XLogP of 15.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(2-methylphenyl)-N,N,7-triphenylcarbazol-2-amine is sourced from PubChem (CID 130244628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).