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

C51H34N4 — CID 142377805

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

9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole (PubChem CID 142377805) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
• PubChem CID: 142377805
• Molecular Formula: C51H34N4
• Molecular Weight: 702.86 g/mol
• Exact Mass: 702.28
• IUPAC Name: 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole
• SMILES: c1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5)c4c3)cc2)cc1
• InChI: InChI=1S/C51H34N4/c1-4-12-35(13-5-1)36-20-22-39(23-21-36)43-30-33-46-45-18-10-11-19-47(45)55(48(46)34-43)44-31-28-38(29-32-44)37-24-26-42(27-25-37)51-53-49(40-14-6-2-7-15-40)52-50(54-51)41-16-8-3-9-17-41/h1-34H
• InChIKey: MRNKNAGPAFDXPS-UHFFFAOYSA-N
• XLogP: 12.97
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.86
LogP ≤ 5	12.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole (CID 142377805) is 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole.

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

The canonical SMILES for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-c3ccc4c5ccccc5n(-c5ccc(-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5)c4c3)cc2)cc1.

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

The InChIKey is MRNKNAGPAFDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-12-35(13-5-1)36-20-22-39(23-21-36)43-30-33-46-45-18-10-11-19-47(45)55(48(46)34-43)44-31-28-38(29-32-44)37-24-26-42(27-25-37)51-53-49(40-14-6-2-7-15-40)52-50(54-51)41-16-8-3-9-17-41/h1-34H.

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

9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole has a molecular weight of 702.86 g/mol, XLogP of 12.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-(4-phenylphenyl)carbazole is sourced from PubChem (CID 142377805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).