12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole

C186H97F23N8O4S2 — CID 161443960

About 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole

12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole (PubChem CID 161443960) has the molecular formula C186H97F23N8O4S2 and a molecular weight of 3008.96 g/mol. Its IUPAC name is 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole
• PubChem CID: 161443960
• Molecular Formula: C186H97F23N8O4S2
• Molecular Weight: 3008.96 g/mol
• Exact Mass: 3006.67
• IUPAC Name: 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole
• SMILES: Cc1ccc2c3ccccc3n(-c3cc(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc(C)cc43)c2c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc1C(F)(F)F
• InChI: InChI=1S/2C49H25F5N2O2.C49H25F5N2S2.C39H22F8N2/c50-34-14-9-15-35(51)44(34)32-24-38(55-36-16-5-1-10-26(36)28-20-22-42-45(47(28)55)30-12-3-7-18-40(30)57-42)39(25-33(32)49(52,53)54)56-37-17-6-2-11-27(37)29-21-23-43-46(48(29)56)31-13-4-8-19-41(31)58-43;50-36-14-9-15-37(51)44(36)34-24-40(55-38-16-5-1-10-26(38)30-20-22-32-28-12-3-7-18-42(28)57-47(32)45(30)55)41(25-35(34)49(52,53)54)56-39-17-6-2-11-27(39)31-21-23-33-29-13-4-8-19-43(29)58-48(33)46(31)56;50-34-14-9-15-35(51)44(34)32-24-38(55-36-16-5-1-10-26(36)28-20-22-42-45(47(28)55)30-12-3-7-18-40(30)57-42)39(25-33(32)49(52,53)54)56-37-17-6-2-11-27(37)29-21-23-43-46(48(29)56)31-13-4-8-19-41(31)58-43;1-19-11-13-23-21-7-3-5-9-27(21)48(29(23)15-19)31-17-25(33-34(40)36(42)38(44)37(43)35(33)41)26(39(45,46)47)18-32(31)49-28-10-6-4-8-22(28)24-14-12-20(2)16-30(24)49/h3*1-25H;3-18H,1-2H3
• InChIKey: VZQMBSTYQINTLJ-UHFFFAOYSA-N
• XLogP: 56.75
• TPSA: 92.00 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3008.96
LogP ≤ 5	56.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole?

The IUPAC name of 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole (CID 161443960) is 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole.

What is the SMILES notation for 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole?

The canonical SMILES for 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole is Cc1ccc2c3ccccc3n(-c3cc(-c4c(F)c(F)c(F)c(F)c4F)c(C(F)(F)F)cc3-n3c4ccccc4c4ccc(C)cc43)c2c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1C(F)(F)F.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc1C(F)(F)F.

What is the InChIKey of 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole?

The InChIKey is VZQMBSTYQINTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H25F5N2O2.C49H25F5N2S2.C39H22F8N2/c50-34-14-9-15-35(51)44(34)32-24-38(55-36-16-5-1-10-26(36)28-20-22-42-45(47(28)55)30-12-3-7-18-40(30)57-42)39(25-33(32)49(52,53)54)56-37-17-6-2-11-27(37)29-21-23-43-46(48(29)56)31-13-4-8-19-41(31)58-43;50-36-14-9-15-37(51)44(36)34-24-40(55-38-16-5-1-10-26(38)30-20-22-32-28-12-3-7-18-42(28)57-47(32)45(30)55)41(25-35(34)49(52,53)54)56-39-17-6-2-11-27(39)31-21-23-33-29-13-4-8-19-43(29)58-48(33)46(31)56;50-34-14-9-15-35(51)44(34)32-24-38(55-36-16-5-1-10-26(36)28-20-22-42-45(47(28)55)30-12-3-7-18-40(30)57-42)39(25-33(32)49(52,53)54)56-37-17-6-2-11-27(37)29-21-23-43-46(48(29)56)31-13-4-8-19-41(31)58-43;1-19-11-13-23-21-7-3-5-9-27(21)48(29(23)15-19)31-17-25(33-34(40)36(42)38(44)37(43)35(33)41)26(39(45,46)47)18-32(31)49-28-10-6-4-8-22(28)24-14-12-20(2)16-30(24)49/h3*1-25H;3-18H,1-2H3.

What are the key properties of 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole?

12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole has a molecular weight of 3008.96 g/mol, XLogP of 56.75, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[2-([1]benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[2-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[2-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;2-methyl-9-[2-(2-methylcarbazol-9-yl)-4-(2,3,4,5,6-pentafluorophenyl)-5-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 161443960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).