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

C53H30F6N4O — CID 155232876

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

3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (PubChem CID 155232876) has the molecular formula C53H30F6N4O and a molecular weight of 852.84 g/mol. Its IUPAC name is 3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

Molecular Properties

• Compound Name: 3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• PubChem CID: 155232876
• Molecular Formula: C53H30F6N4O
• Molecular Weight: 852.84 g/mol
• Exact Mass: 852.23
• IUPAC Name: 3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole
• SMILES: FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C53H30F6N4O/c54-52(55,56)37-25-36(26-38(30-37)53(57,58)59)35-20-22-45-41(27-35)39-15-7-9-17-44(39)63(45)46-23-19-33(34-21-24-48-42(28-34)40-16-8-10-18-47(40)64-48)29-43(46)51-61-49(31-11-3-1-4-12-31)60-50(62-51)32-13-5-2-6-14-32/h1-30H
• InChIKey: DORDXHWZUKPWDU-UHFFFAOYSA-N
• XLogP: 15.24
• TPSA: 56.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	852.84
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole (CID 155232876) is 3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole.

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

The canonical SMILES for 3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is FC(F)(F)c1cc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc4oc5ccccc5c4c3)cc2-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc(C(F)(F)F)c1.

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

The InChIKey is DORDXHWZUKPWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30F6N4O/c54-52(55,56)37-25-36(26-38(30-37)53(57,58)59)35-20-22-45-41(27-35)39-15-7-9-17-44(39)63(45)46-23-19-33(34-21-24-48-42(28-34)40-16-8-10-18-47(40)64-48)29-43(46)51-61-49(31-11-3-1-4-12-31)60-50(62-51)32-13-5-2-6-14-32/h1-30H.

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

3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole has a molecular weight of 852.84 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-bis(trifluoromethyl)phenyl]-9-[4-dibenzofuran-2-yl-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole is sourced from PubChem (CID 155232876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).