5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

C380H240F18N34O2S2 — CID 161161722

IUPAC5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/2C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-18-17-27-55(69(70,71)72)64(42)43-32-34-49(63(40-43)77-59-31-16-12-26-53(59)66-62(77)39-36-51-48-24-10-14-29-57(48)75(68(51)66)46-21-7-4-8-22-46)54-41-44(73-2)33-37-60(54)76-58-30-15-11-25-52(58)65-61(76)38-35-50-47-23-9-13-28-56(47)74(67(50)65)45-19-5-3-6-20-45;1-42-18-17-27-57(69(70,71)72)68(42)43-32-34-51(63(36-43)77-61-31-16-12-26-50(61)56-39-54-48-24-10-14-29-59(48)75(65(54)41-67(56)77)46-21-7-4-8-22-46)52-37-44(73-2)33-35-62(52)76-60-30-15-11-25-49(60)55-38-53-47-23-9-13-28-58(47)74(64(53)40-66(55)76)45-19-5-3-6-20-45;1-32-12-11-13-53(65(66,67)68)60(32)41-14-20-47(59(30-41)83-56-23-17-44(63-78-37(6)72-38(7)79-63)28-50(56)51-29-45(18-24-57(51)83)64-80-39(8)73-40(9)81-64)52-31-46(69-10)19-25-58(52)82-54-21-15-42(61-74-33(2)70-34(3)75-61)26-48(54)49-27-43(16-22-55(49)82)62-76-35(4)71-36(5)77-62;1-36-16-15-23-49(63(64,65)66)56(36)37-26-28-41(55(34-37)69-51-25-14-10-20-45(51)58-54(69)33-30-43-40-18-8-12-22-48(40)62(4,5)60(43)58)46-35-38(67-6)27-31-52(46)68-50-24-13-9-19-44(50)57-53(68)32-29-42-39-17-7-11-21-47(39)61(2,3)59(42)57;2*1-32-12-11-17-43(57(58,59)60)52(32)33-22-24-35(49(30-33)63-45-19-8-4-16-41(45)54-48(63)29-26-39-37-14-6-10-21-51(37)65-56(39)54)42-31-34(61-2)23-27-46(42)62-44-18-7-3-15-40(44)53-47(62)28-25-38-36-13-5-9-20-50(36)64-55(38)53/h2*3-41H,1H3;11-31H,1-9H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeyUPZWAXWVVIZBTL-UHFFFAOYSA-N
MW5720.43 g/mol
LogP105.97
Rot. Bonds32

About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole

5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (PubChem CID 161161722) has the molecular formula C380H240F18N34O2S2 and a molecular weight of 5720.43 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
PubChem CID161161722
Molecular FormulaC380H240F18N34O2S2
Molecular Weight5720.43 g/mol
Exact Mass5715.89
IUPAC Name5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
SMILES[C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/2C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-18-17-27-55(69(70,71)72)64(42)43-32-34-49(63(40-43)77-59-31-16-12-26-53(59)66-62(77)39-36-51-48-24-10-14-29-57(48)75(68(51)66)46-21-7-4-8-22-46)54-41-44(73-2)33-37-60(54)76-58-30-15-11-25-52(58)65-61(76)38-35-50-47-23-9-13-28-56(47)74(67(50)65)45-19-5-3-6-20-45;1-42-18-17-27-57(69(70,71)72)68(42)43-32-34-51(63(36-43)77-61-31-16-12-26-50(61)56-39-54-48-24-10-14-29-59(48)75(65(54)41-67(56)77)46-21-7-4-8-22-46)52-37-44(73-2)33-35-62(52)76-60-30-15-11-25-49(60)55-38-53-47-23-9-13-28-58(47)74(64(53)40-66(55)76)45-19-5-3-6-20-45;1-32-12-11-13-53(65(66,67)68)60(32)41-14-20-47(59(30-41)83-56-23-17-44(63-78-37(6)72-38(7)79-63)28-50(56)51-29-45(18-24-57(51)83)64-80-39(8)73-40(9)81-64)52-31-46(69-10)19-25-58(52)82-54-21-15-42(61-74-33(2)70-34(3)75-61)26-48(54)49-27-43(16-22-55(49)82)62-76-35(4)71-36(5)77-62;1-36-16-15-23-49(63(64,65)66)56(36)37-26-28-41(55(34-37)69-51-25-14-10-20-45(51)58-54(69)33-30-43-40-18-8-12-22-48(40)62(4,5)60(43)58)46-35-38(67-6)27-31-52(46)68-50-24-13-9-19-44(50)57-53(68)32-29-42-39-17-7-11-21-47(39)61(2,3)59(42)57;2*1-32-12-11-17-43(57(58,59)60)52(32)33-22-24-35(49(30-33)63-45-19-8-4-16-41(45)54-48(63)29-26-39-37-14-6-10-21-51(37)65-56(39)54)42-31-34(61-2)23-27-46(42)62-44-18-7-3-15-40(44)53-47(62)28-25-38-36-13-5-9-20-50(36)64-55(38)53/h2*3-41H,1H3;11-31H,1-9H3;7-35H,1-5H3;2*3-31H,1H3
InChIKeyUPZWAXWVVIZBTL-UHFFFAOYSA-N
XLogP105.97
TPSA286.00 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds32
Heavy Atoms436
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005720.43
LogP ≤ 5105.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

3-[5-[3-[4-[[5-[3-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[2,4-bis(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazol-8-yl]methyl]-6-methyl-1,3,5-triazin-2-yl]-6-(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-2-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]benzonitrile
CID 138499324
5-[2-[2-([1]Benzofuro[3,2-c]carbazol-5-yl)-5-[4-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-c]carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 138554689
5-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-[1]benzothiolo[3,2-c]carbazole
CID 155159514
18-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-9-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155160003
9-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18-phenylspiro[9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene-27,9'-fluorene]
CID 155160004
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-7-phenylindolo[2,3-b]carbazole
CID 155160012
5-Dibenzothiophen-2-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 155160013
27-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-18-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160014
18-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-27-phenyl-9-thia-18,27-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaene
CID 155160018
2-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-11-phenylindolo[3,2-b]carbazole
CID 155160153
6-Dibenzothiophen-2-yl-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-5-phenylindolo[3,2-c]carbazole
CID 155160157
6-Dibenzothiophen-2-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)dibenzofuran-1-yl]-12-phenylindolo[3,2-c]carbazole
CID 155160162

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole (CID 161161722) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is [C-]#[N+]c1ccc(-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-c2ccc(-c3c(C)cccc3C(F)(F)F)cc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
The InChIKey is UPZWAXWVVIZBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H42F3N5.C65H48F3N15.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2/c1-42-18-17-27-55(69(70,71)72)64(42)43-32-34-49(63(40-43)77-59-31-16-12-26-53(59)66-62(77)39-36-51-48-24-10-14-29-57(48)75(68(51)66)46-21-7-4-8-22-46)54-41-44(73-2)33-37-60(54)76-58-30-15-11-25-52(58)65-61(76)38-35-50-47-23-9-13-28-56(47)74(67(50)65)45-19-5-3-6-20-45;1-42-18-17-27-57(69(70,71)72)68(42)43-32-34-51(63(36-43)77-61-31-16-12-26-50(61)56-39-54-48-24-10-14-29-59(48)75(65(54)41-67(56)77)46-21-7-4-8-22-46)52-37-44(73-2)33-35-62(52)76-60-30-15-11-25-49(60)55-38-53-47-23-9-13-28-58(47)74(64(53)40-66(55)76)45-19-5-3-6-20-45;1-32-12-11-13-53(65(66,67)68)60(32)41-14-20-47(59(30-41)83-56-23-17-44(63-78-37(6)72-38(7)79-63)28-50(56)51-29-45(18-24-57(51)83)64-80-39(8)73-40(9)81-64)52-31-46(69-10)19-25-58(52)82-54-21-15-42(61-74-33(2)70-34(3)75-61)26-48(54)49-27-43(16-22-55(49)82)62-76-35(4)71-36(5)77-62;1-36-16-15-23-49(63(64,65)66)56(36)37-26-28-41(55(34-37)69-51-25-14-10-20-45(51)58-54(69)33-30-43-40-18-8-12-22-48(40)62(4,5)60(43)58)46-35-38(67-6)27-31-52(46)68-50-24-13-9-19-44(50)57-53(68)32-29-42-39-17-7-11-21-47(39)61(2,3)59(42)57;2*1-32-12-11-17-43(57(58,59)60)52(32)33-22-24-35(49(30-33)63-45-19-8-4-16-41(45)54-48(63)29-26-39-37-14-6-10-21-51(37)65-56(39)54)42-31-34(61-2)23-27-46(42)62-44-18-7-3-15-40(44)53-47(62)28-25-38-36-13-5-9-20-50(36)64-55(38)53/h2*3-41H,1H3;11-31H,1-9H3;7-35H,1-5H3;2*3-31H,1H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole has a molecular weight of 5720.43 g/mol, XLogP of 105.97, 32 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;9-[2-[2-[3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazol-9-yl]-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4,6-dimethyl-1,3,5-triazin-2-yl)carbazole;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[4-isocyano-2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 161161722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).