3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole

C86H51F6N5 — CID 167107982

About 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole

3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole (PubChem CID 167107982) has the molecular formula C86H51F6N5 and a molecular weight of 1268.38 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole.

Molecular Properties

• Compound Name: 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
• PubChem CID: 167107982
• Molecular Formula: C86H51F6N5
• Molecular Weight: 1268.38 g/mol
• Exact Mass: 1267.40
• IUPAC Name: 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole
• SMILES: FC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3cccc(C(F)(F)F)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-n2c3ccccc3c3ccccc32)c1
• InChI: InChI=1S/C86H51F6N5/c87-85(88,89)56-24-20-22-54(48-56)79-81(94-70-37-13-4-28-59(70)60-29-5-14-38-71(60)94)80(55-23-21-25-57(49-55)86(90,91)92)83(96-74-41-17-8-32-63(74)64-33-9-18-42-75(64)96)84(82(79)95-72-39-15-6-30-61(72)62-31-7-16-40-73(62)95)97-76-43-19-11-35-66(76)68-51-53(45-47-78(68)97)52-44-46-77-67(50-52)65-34-10-12-36-69(65)93(77)58-26-2-1-3-27-58/h1-51H
• InChIKey: RCHWULQDXFFHDH-UHFFFAOYSA-N
• XLogP: 24.21
• TPSA: 24.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1268.38
LogP ≤ 5	24.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole (CID 167107982) is 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole.

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

The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole is FC(F)(F)c1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-c3cccc(C(F)(F)F)c3)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2-n2c3ccccc3c3ccccc32)c1.

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

The InChIKey is RCHWULQDXFFHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H51F6N5/c87-85(88,89)56-24-20-22-54(48-56)79-81(94-70-37-13-4-28-59(70)60-29-5-14-38-71(60)94)80(55-23-21-25-57(49-55)86(90,91)92)83(96-74-41-17-8-32-63(74)64-33-9-18-42-75(64)96)84(82(79)95-72-39-15-6-30-61(72)62-31-7-16-40-73(62)95)97-76-43-19-11-35-66(76)68-51-53(45-47-78(68)97)52-44-46-77-67(50-52)65-34-10-12-36-69(65)93(77)58-26-2-1-3-27-58/h1-51H.

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

3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole has a molecular weight of 1268.38 g/mol, XLogP of 24.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis[3-(trifluoromethyl)phenyl]phenyl]carbazole is sourced from PubChem (CID 167107982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).