9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole

C52H33F3N4 — CID 138486679

About 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole (PubChem CID 138486679) has the molecular formula C52H33F3N4 and a molecular weight of 770.86 g/mol. Its IUPAC name is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole.

Molecular Properties

• Compound Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
• PubChem CID: 138486679
• Molecular Formula: C52H33F3N4
• Molecular Weight: 770.86 g/mol
• Exact Mass: 770.27
• IUPAC Name: 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole
• SMILES: FC(F)(F)c1ccccc1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
• InChI: InChI=1S/C52H33F3N4/c53-52(54,55)46-24-14-13-23-42(46)41-30-27-40(33-45(41)51-57-49(36-19-9-3-10-20-36)56-50(58-51)37-21-11-4-12-22-37)59-47-31-38(34-15-5-1-6-16-34)25-28-43(47)44-29-26-39(32-48(44)59)35-17-7-2-8-18-35/h1-33H
• InChIKey: TYOGBIIDHRTPOB-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.86
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole (CID 138486679) is 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole.

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

The canonical SMILES for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole is FC(F)(F)c1ccccc1-c1ccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.

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

The InChIKey is TYOGBIIDHRTPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33F3N4/c53-52(54,55)46-24-14-13-23-42(46)41-30-27-40(33-45(41)51-57-49(36-19-9-3-10-20-36)56-50(58-51)37-21-11-4-12-22-37)59-47-31-38(34-15-5-1-6-16-34)25-28-43(47)44-29-26-39(32-48(44)59)35-17-7-2-8-18-35/h1-33H.

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

9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole has a molecular weight of 770.86 g/mol, XLogP of 13.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-[2-(trifluoromethyl)phenyl]phenyl]-2,7-diphenylcarbazole is sourced from PubChem (CID 138486679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).