3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

C92H54F6N6 — CID 167107984

About 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole

3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 167107984) has the molecular formula C92H54F6N6 and a molecular weight of 1357.47 g/mol. Its IUPAC name is 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

• Compound Name: 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
• PubChem CID: 167107984
• Molecular Formula: C92H54F6N6
• Molecular Weight: 1357.47 g/mol
• Exact Mass: 1356.43
• IUPAC Name: 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
• SMILES: FC(F)(F)c1cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1
• InChI: InChI=1S/C92H54F6N6/c93-91(94,95)58-50-57(51-59(54-58)92(96,97)98)85-86(100-74-37-15-4-26-61(74)62-27-5-16-38-75(62)100)88(102-78-41-19-8-30-65(78)66-31-9-20-42-79(66)102)90(89(103-80-43-21-10-32-67(80)68-33-11-22-44-81(68)103)87(85)101-76-39-17-6-28-63(76)64-29-7-18-40-77(64)101)104-82-45-23-13-35-70(82)72-53-56(47-49-84(72)104)55-46-48-83-71(52-55)69-34-12-14-36-73(69)99(83)60-24-2-1-3-25-60/h1-54H
• InChIKey: AUJXSJYQIDJUAC-UHFFFAOYSA-N
• XLogP: 25.64
• TPSA: 29.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1357.47
LogP ≤ 5	25.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole (CID 167107984) is 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole.

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

The canonical SMILES for 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is FC(F)(F)c1cc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)cc(C(F)(F)F)c1.

What is the InChIKey of 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole?

The InChIKey is AUJXSJYQIDJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H54F6N6/c93-91(94,95)58-50-57(51-59(54-58)92(96,97)98)85-86(100-74-37-15-4-26-61(74)62-27-5-16-38-75(62)100)88(102-78-41-19-8-30-65(78)66-31-9-20-42-79(66)102)90(89(103-80-43-21-10-32-67(80)68-33-11-22-44-81(68)103)87(85)101-76-39-17-6-28-63(76)64-29-7-18-40-77(64)101)104-82-45-23-13-35-70(82)72-53-56(47-49-84(72)104)55-46-48-83-71(52-55)69-34-12-14-36-73(69)99(83)60-24-2-1-3-25-60/h1-54H.

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

3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole has a molecular weight of 1357.47 g/mol, XLogP of 25.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9-[4-[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetra(carbazol-9-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 167107984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).