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

C66H44F3N5 — CID 138554819

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

9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole (PubChem CID 138554819) has the molecular formula C66H44F3N5 and a molecular weight of 964.11 g/mol. Its IUPAC name is 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole
• PubChem CID: 138554819
• Molecular Formula: C66H44F3N5
• Molecular Weight: 964.11 g/mol
• Exact Mass: 963.35
• IUPAC Name: 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole
• SMILES: Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21
• InChI: InChI=1S/C66H44F3N5/c1-41-17-9-11-23-49(41)45-29-34-59-54(37-45)51-25-13-15-27-57(51)73(59)60-36-31-47(65-71-63(43-19-5-3-6-20-43)70-64(72-65)44-21-7-4-8-22-44)39-56(60)53-33-32-48(66(67,68)69)40-62(53)74-58-28-16-14-26-52(58)55-38-46(30-35-61(55)74)50-24-12-10-18-42(50)2/h3-40H,1-2H3
• InChIKey: MZHCDUFYDHRHMQ-UHFFFAOYSA-N
• XLogP: 17.70
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.11
LogP ≤ 5	17.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole (CID 138554819) is 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole.

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

The canonical SMILES for 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole is Cc1ccccc1-c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1-c1ccc(C(F)(F)F)cc1-n1c2ccccc2c2cc(-c3ccccc3C)ccc21.

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

The InChIKey is MZHCDUFYDHRHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44F3N5/c1-41-17-9-11-23-49(41)45-29-34-59-54(37-45)51-25-13-15-27-57(51)73(59)60-36-31-47(65-71-63(43-19-5-3-6-20-43)70-64(72-65)44-21-7-4-8-22-44)39-56(60)53-33-32-48(66(67,68)69)40-62(53)74-58-28-16-14-26-52(58)55-38-46(30-35-61(55)74)50-24-12-10-18-42(50)2/h3-40H,1-2H3.

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

9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole has a molecular weight of 964.11 g/mol, XLogP of 17.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(2-methylphenyl)carbazol-9-yl]phenyl]-5-(trifluoromethyl)phenyl]-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 138554819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).