12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole

C252H144F20N16S2 — CID 160515686

About 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 160515686) has the molecular formula C252H144F20N16S2 and a molecular weight of 3840.13 g/mol. Its IUPAC name is 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

• Compound Name: 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
• PubChem CID: 160515686
• Molecular Formula: C252H144F20N16S2
• Molecular Weight: 3840.13 g/mol
• Exact Mass: 3837.09
• IUPAC Name: 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
• SMILES: Fc1cccc(F)c1-c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(C(F)(F)F)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1
• InChI: InChI=1S/C81H49F5N6.2C61H35F5N4.C49H25F5N2S2/c82-67-30-13-31-68(83)75(67)58-48-73(91-69-36-32-54(59-26-14-40-87-77(59)50-18-5-1-6-19-50)44-63(69)64-45-55(33-37-70(64)91)60-27-15-41-88-78(60)51-20-7-2-8-21-51)76(81(84,85)86)74(49-58)92-71-38-34-56(61-28-16-42-89-79(61)52-22-9-3-10-23-52)46-65(71)66-47-57(35-39-72(66)92)62-29-17-43-90-80(62)53-24-11-4-12-25-53;62-45-24-15-25-46(63)55(45)36-34-53(69-47-26-11-7-20-39(47)41-30-32-51-56(59(41)69)43-22-9-13-28-49(43)67(51)37-16-3-1-4-17-37)58(61(64,65)66)54(35-36)70-48-27-12-8-21-40(48)42-31-33-52-57(60(42)70)44-23-10-14-29-50(44)68(52)38-18-5-2-6-19-38;62-47-24-15-25-48(63)55(47)36-34-53(69-51-28-13-9-22-41(51)45-32-30-43-39-20-7-11-26-49(39)67(57(43)59(45)69)37-16-3-1-4-17-37)56(61(64,65)66)54(35-36)70-52-29-14-10-23-42(52)46-33-31-44-40-21-8-12-27-50(40)68(58(44)60(46)70)38-18-5-2-6-19-38;50-35-14-9-15-36(51)43(35)26-24-39(55-37-16-5-1-10-27(37)31-20-22-33-29-12-3-7-18-41(29)57-47(33)45(31)55)44(49(52,53)54)40(25-26)56-38-17-6-2-11-28(38)32-21-23-34-30-13-4-8-19-42(30)58-48(34)46(32)56/h1-49H;2*1-35H;1-25H
• InChIKey: QTPVHGIIACTMCK-UHFFFAOYSA-N
• XLogP: 71.42
• TPSA: 110.72 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 24
• Heavy Atoms: 290
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3840.13
LogP ≤ 5	71.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

The IUPAC name of 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 160515686) is 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole.

What is the SMILES notation for 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

The canonical SMILES for 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole is Fc1cccc(F)c1-c1cc(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c(C(F)(F)F)c(-n2c3ccc(-c4cccnc4-c4ccccc4)cc3c3cc(-c4cccnc4-c4ccccc4)ccc32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1.Fc1cccc(F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(C(F)(F)F)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c1.

What is the InChIKey of 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

The InChIKey is QTPVHGIIACTMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H49F5N6.2C61H35F5N4.C49H25F5N2S2/c82-67-30-13-31-68(83)75(67)58-48-73(91-69-36-32-54(59-26-14-40-87-77(59)50-18-5-1-6-19-50)44-63(69)64-45-55(33-37-70(64)91)60-27-15-41-88-78(60)51-20-7-2-8-21-51)76(81(84,85)86)74(49-58)92-71-38-34-56(61-28-16-42-89-79(61)52-22-9-3-10-23-52)46-65(71)66-47-57(35-39-72(66)92)62-29-17-43-90-80(62)53-24-11-4-12-25-53;62-45-24-15-25-46(63)55(45)36-34-53(69-47-26-11-7-20-39(47)41-30-32-51-56(59(41)69)43-22-9-13-28-49(43)67(51)37-16-3-1-4-17-37)58(61(64,65)66)54(35-36)70-48-27-12-8-21-40(48)42-31-33-52-57(60(42)70)44-23-10-14-29-50(44)68(52)38-18-5-2-6-19-38;62-47-24-15-25-48(63)55(47)36-34-53(69-51-28-13-9-22-41(51)45-32-30-43-39-20-7-11-26-49(39)67(57(43)59(45)69)37-16-3-1-4-17-37)56(61(64,65)66)54(35-36)70-52-29-14-10-23-42(52)46-33-31-44-40-21-8-12-27-50(40)68(58(44)60(46)70)38-18-5-2-6-19-38;50-35-14-9-15-36(51)43(35)26-24-39(55-37-16-5-1-10-27(37)31-20-22-33-29-12-3-7-18-41(29)57-47(33)45(31)55)44(49(52,53)54)40(25-26)56-38-17-6-2-11-28(38)32-21-23-34-30-13-4-8-19-42(30)58-48(34)46(32)56/h1-49H;2*1-35H;1-25H.

What are the key properties of 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole?

12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 3840.13 g/mol, XLogP of 71.42, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(2,6-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(2,6-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 160515686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).