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

C48H27F9N4 — CID 138486398

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

2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 138486398) has the molecular formula C48H27F9N4 and a molecular weight of 830.75 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
• PubChem CID: 138486398
• Molecular Formula: C48H27F9N4
• Molecular Weight: 830.75 g/mol
• Exact Mass: 830.21
• IUPAC Name: 2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole
• SMILES: FC(F)(F)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c1
• InChI: InChI=1S/C48H27F9N4/c49-46(50,51)34-15-9-14-31(22-34)37-20-19-32(45-59-43(28-10-3-1-4-11-28)58-44(60-45)29-12-5-2-6-13-29)26-41(37)61-40-17-8-7-16-38(40)39-21-18-30(25-42(39)61)33-23-35(47(52,53)54)27-36(24-33)48(55,56)57/h1-27H
• InChIKey: IMXUXIFOVNSAOW-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.75
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 138486398) is 2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c1.

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

The InChIKey is IMXUXIFOVNSAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H27F9N4/c49-46(50,51)34-15-9-14-31(22-34)37-20-19-32(45-59-43(28-10-3-1-4-11-28)58-44(60-45)29-12-5-2-6-13-29)26-41(37)61-40-17-8-7-16-38(40)39-21-18-30(25-42(39)61)33-23-35(47(52,53)54)27-36(24-33)48(55,56)57/h1-27H.

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

2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 830.75 g/mol, XLogP of 14.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(trifluoromethyl)phenyl]-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 138486398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).