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

C61H43F3N4 — CID 161442212

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole (PubChem CID 161442212) has the molecular formula C61H43F3N4 and a molecular weight of 889.04 g/mol. Its IUPAC name is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole.

Molecular Properties

• Compound Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole
• PubChem CID: 161442212
• Molecular Formula: C61H43F3N4
• Molecular Weight: 889.04 g/mol
• Exact Mass: 888.34
• IUPAC Name: 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole
• SMILES: Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)cc1
• InChI: InChI=1S/C61H43F3N4/c1-38-22-24-41(25-23-38)51-36-47(60-66-58(43-16-6-4-7-17-43)65-59(67-60)44-18-8-5-9-19-44)37-52(42-26-30-48(31-27-42)61(62,63)64)57(51)68-55-32-28-45(49-20-12-10-14-39(49)2)34-53(55)54-35-46(29-33-56(54)68)50-21-13-11-15-40(50)3/h4-37H,1-3H3
• InChIKey: YFROQEGVVIFHCG-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	889.04
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole (CID 161442212) is 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole.

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

The canonical SMILES for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole is Cc1ccc(-c2cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc(-c3ccc(C(F)(F)F)cc3)c2-n2c3ccc(-c4ccccc4C)cc3c3cc(-c4ccccc4C)ccc32)cc1.

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

The InChIKey is YFROQEGVVIFHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43F3N4/c1-38-22-24-41(25-23-38)51-36-47(60-66-58(43-16-6-4-7-17-43)65-59(67-60)44-18-8-5-9-19-44)37-52(42-26-30-48(31-27-42)61(62,63)64)57(51)68-55-32-28-45(49-20-12-10-14-39(49)2)34-53(55)54-35-46(29-33-56(54)68)50-21-13-11-15-40(50)3/h4-37H,1-3H3.

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

9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole has a molecular weight of 889.04 g/mol, XLogP of 16.58, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]phenyl]-3,6-bis(2-methylphenyl)carbazole is sourced from PubChem (CID 161442212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).