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

C56H28F15N5 — CID 169060017

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

9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (PubChem CID 169060017) has the molecular formula C56H28F15N5 and a molecular weight of 1055.85 g/mol. Its IUPAC name is 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

Molecular Properties

• Compound Name: 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• PubChem CID: 169060017
• Molecular Formula: C56H28F15N5
• Molecular Weight: 1055.85 g/mol
• Exact Mass: 1055.21
• IUPAC Name: 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole
• SMILES: FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2cccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c2C(F)(F)F)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C56H28F15N5/c57-52(58,59)31-14-20-43-38(24-31)39-25-32(53(60,61)62)15-21-44(39)75(43)35-18-19-36(42(28-35)51-73-49(29-8-3-1-4-9-29)72-50(74-51)30-10-5-2-6-11-30)37-12-7-13-47(48(37)56(69,70)71)76-45-22-16-33(54(63,64)65)26-40(45)41-27-34(55(66,67)68)17-23-46(41)76/h1-28H
• InChIKey: IWZQSIVBZXKNPL-UHFFFAOYSA-N
• XLogP: 17.83
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.85
LogP ≤ 5	17.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole (CID 169060017) is 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole.

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

The canonical SMILES for 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1cc(C(F)(F)F)ccc1n2-c1ccc(-c2cccc(-n3c4ccc(C(F)(F)F)cc4c4cc(C(F)(F)F)ccc43)c2C(F)(F)F)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

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

The InChIKey is IWZQSIVBZXKNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H28F15N5/c57-52(58,59)31-14-20-43-38(24-31)39-25-32(53(60,61)62)15-21-44(39)75(43)35-18-19-36(42(28-35)51-73-49(29-8-3-1-4-9-29)72-50(74-51)30-10-5-2-6-11-30)37-12-7-13-47(48(37)56(69,70)71)76-45-22-16-33(54(63,64)65)26-40(45)41-27-34(55(66,67)68)17-23-46(41)76/h1-28H.

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

9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole has a molecular weight of 1055.85 g/mol, XLogP of 17.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3-[4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-(trifluoromethyl)phenyl]-3,6-bis(trifluoromethyl)carbazole is sourced from PubChem (CID 169060017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).