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

C362H209F33N22O2S2 — CID 158511309

IUPAC3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(C)ccc43)c2)cc(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/2C69H39F6N5.C63H41F6N3.C57H29F6N3O2.C57H29F6N3S2.C47H32F3N3/c1-76-45-29-30-52(63(36-45)80-61-27-15-11-23-51(61)57-38-55-49-21-9-13-25-59(49)78(65(55)40-67(57)80)47-18-6-3-7-19-47)53-34-41(42-32-43(68(70,71)72)35-44(33-42)69(73,74)75)28-31-62(53)79-60-26-14-10-22-50(60)56-37-54-48-20-8-12-24-58(48)77(64(54)39-66(56)79)46-16-4-2-5-17-46;70-68(71,72)44-36-43(37-45(39-44)69(73,74)75)42-28-32-60(79-58-25-13-9-21-53(58)64-61(79)33-30-51-48-19-7-11-23-56(48)77(66(51)64)46-15-3-1-4-16-46)55(38-42)50-29-27-41(40-76)35-63(50)80-59-26-14-10-22-54(59)65-62(80)34-31-52-49-20-8-12-24-57(49)78(67(52)65)47-17-5-2-6-18-47;1-60(2)48-17-9-5-13-40(48)43-24-27-53-56(58(43)60)45-15-7-11-19-50(45)71(53)52-26-22-36(37-30-38(62(64,65)66)33-39(31-37)63(67,68)69)32-47(52)42-23-21-35(34-70)29-55(42)72-51-20-12-8-16-46(51)57-54(72)28-25-44-41-14-6-10-18-49(41)61(3,4)59(44)57;2*58-56(59,60)34-26-33(27-35(29-34)57(61,62)63)32-18-22-46(65-44-13-5-1-11-41(44)52-47(65)23-20-39-37-9-3-7-15-50(37)67-54(39)52)43(28-32)36-19-17-31(30-64)25-49(36)66-45-14-6-2-12-42(45)53-48(66)24-21-40-38-10-4-8-16-51(38)68-55(40)53;1-28-12-16-43-37(22-28)35-8-4-6-10-41(35)52(43)45-18-14-31(27-51)24-39(45)40-26-32(33-20-30(3)21-34(25-33)47(48,49)50)15-19-46(40)53-42-11-7-5-9-36(42)38-23-29(2)13-17-44(38)53/h2-40H;1-39H;5-33H,1-4H3;2*1-29H;4-26H,1-3H3
InChIKeyHLCABLTTWXRAGJ-UHFFFAOYSA-N
MW5589.87 g/mol
LogP104.87
Rot. Bonds28

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

3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile (PubChem CID 158511309) has the molecular formula C362H209F33N22O2S2 and a molecular weight of 5589.87 g/mol. Its IUPAC name is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile.

Molecular Properties

Compound Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile
PubChem CID158511309
Molecular FormulaC362H209F33N22O2S2
Molecular Weight5589.87 g/mol
Exact Mass5585.58
IUPAC Name3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile
SMILESCC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(C)ccc43)c2)cc(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1
InChIInChI=1S/2C69H39F6N5.C63H41F6N3.C57H29F6N3O2.C57H29F6N3S2.C47H32F3N3/c1-76-45-29-30-52(63(36-45)80-61-27-15-11-23-51(61)57-38-55-49-21-9-13-25-59(49)78(65(55)40-67(57)80)47-18-6-3-7-19-47)53-34-41(42-32-43(68(70,71)72)35-44(33-42)69(73,74)75)28-31-62(53)79-60-26-14-10-22-50(60)56-37-54-48-20-8-12-24-58(48)77(64(54)39-66(56)79)46-16-4-2-5-17-46;70-68(71,72)44-36-43(37-45(39-44)69(73,74)75)42-28-32-60(79-58-25-13-9-21-53(58)64-61(79)33-30-51-48-19-7-11-23-56(48)77(66(51)64)46-15-3-1-4-16-46)55(38-42)50-29-27-41(40-76)35-63(50)80-59-26-14-10-22-54(59)65-62(80)34-31-52-49-20-8-12-24-57(49)78(67(52)65)47-17-5-2-6-18-47;1-60(2)48-17-9-5-13-40(48)43-24-27-53-56(58(43)60)45-15-7-11-19-50(45)71(53)52-26-22-36(37-30-38(62(64,65)66)33-39(31-37)63(67,68)69)32-47(52)42-23-21-35(34-70)29-55(42)72-51-20-12-8-16-46(51)57-54(72)28-25-44-41-14-6-10-18-49(41)61(3,4)59(44)57;2*58-56(59,60)34-26-33(27-35(29-34)57(61,62)63)32-18-22-46(65-44-13-5-1-11-41(44)52-47(65)23-20-39-37-9-3-7-15-50(37)67-54(39)52)43(28-32)36-19-17-31(30-64)25-49(36)66-45-14-6-2-12-42(45)53-48(66)24-21-40-38-10-4-8-16-51(38)68-55(40)53;1-28-12-16-43-37(22-28)35-8-4-6-10-41(35)52(43)45-18-14-31(27-51)24-39(45)40-26-32(33-20-30(3)21-34(25-33)47(48,49)50)15-19-46(40)53-42-11-7-5-9-36(42)38-23-29(2)13-17-44(38)53/h2-40H;1-39H;5-33H,1-4H3;2*1-29H;4-26H,1-3H3
InChIKeyHLCABLTTWXRAGJ-UHFFFAOYSA-N
XLogP104.87
TPSA228.47 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms421
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005589.87
LogP ≤ 5104.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

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

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Related Compounds

4,7-Bis(10-tert-butyl-[1]benzofuro[2,3-b]carbazol-7-yl)-1,1,3,3-tetrafluoro-2-benzofuran-5,6-dicarbonitrile
CID 122609757
4,7-Bis([1]benzofuro[2,3-b]carbazol-7-yl)-2,2-difluoro-1,1,3,3-tetramethylindene-5,6-dicarbonitrile
CID 122609865
2,6-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2,4-bis(trifluoromethyl)phenyl]benzonitrile
CID 134473301
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-[3-[5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-cyanophenyl]-4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[2,3-g]carbazol-3-yl]-[1]benzofuro[3,2-c]carbazol-5-yl]-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile
CID 138499590
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-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(4-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552777
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[3-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552826
12-[3-([1]Benzofuro[3,2-a]carbazol-12-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 139552853
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139552870
5-[3-([1]Benzofuro[3,2-c]carbazol-5-yl)-2,5-bis(2-carbazol-9-ylpropan-2-yl)-4,6-bis(3-fluorophenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 139553619
2-[2,4-Bis([1]benzofuro[3,2-c]carbazol-5-yl)-5-(2-cyanophenyl)-3,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 139553739
4,7-Bis([1]benzofuro[2,3-b]carbazol-7-yl)-2,2-difluoro-6-isocyano-1,1,3,3-tetramethylindene-5-carbonitrile
CID 140745726

Frequently Asked Questions

What is the IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile (CID 158511309) is 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1cc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)c(-c3cc(C#N)ccc3-n3c4ccccc4c4cc(C)ccc43)c2)cc(C(F)(F)F)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.N#Cc1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-c2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.
What is the InChIKey of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The InChIKey is HLCABLTTWXRAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H39F6N5.C63H41F6N3.C57H29F6N3O2.C57H29F6N3S2.C47H32F3N3/c1-76-45-29-30-52(63(36-45)80-61-27-15-11-23-51(61)57-38-55-49-21-9-13-25-59(49)78(65(55)40-67(57)80)47-18-6-3-7-19-47)53-34-41(42-32-43(68(70,71)72)35-44(33-42)69(73,74)75)28-31-62(53)79-60-26-14-10-22-50(60)56-37-54-48-20-8-12-24-58(48)77(64(54)39-66(56)79)46-16-4-2-5-17-46;70-68(71,72)44-36-43(37-45(39-44)69(73,74)75)42-28-32-60(79-58-25-13-9-21-53(58)64-61(79)33-30-51-48-19-7-11-23-56(48)77(66(51)64)46-15-3-1-4-16-46)55(38-42)50-29-27-41(40-76)35-63(50)80-59-26-14-10-22-54(59)65-62(80)34-31-52-49-20-8-12-24-57(49)78(67(52)65)47-17-5-2-6-18-47;1-60(2)48-17-9-5-13-40(48)43-24-27-53-56(58(43)60)45-15-7-11-19-50(45)71(53)52-26-22-36(37-30-38(62(64,65)66)33-39(31-37)63(67,68)69)32-47(52)42-23-21-35(34-70)29-55(42)72-51-20-12-8-16-46(51)57-54(72)28-25-44-41-14-6-10-18-49(41)61(3,4)59(44)57;2*58-56(59,60)34-26-33(27-35(29-34)57(61,62)63)32-18-22-46(65-44-13-5-1-11-41(44)52-47(65)23-20-39-37-9-3-7-15-50(37)67-54(39)52)43(28-32)36-19-17-31(30-64)25-49(36)66-45-14-6-2-12-42(45)53-48(66)24-21-40-38-10-4-8-16-51(38)68-55(40)53;1-28-12-16-43-37(22-28)35-8-4-6-10-41(35)52(43)45-18-14-31(27-51)24-39(45)40-26-32(33-20-30(3)21-34(25-33)47(48,49)50)15-19-46(40)53-42-11-7-5-9-36(42)38-23-29(2)13-17-44(38)53/h2-40H;1-39H;5-33H,1-4H3;2*1-29H;4-26H,1-3H3.
What are the key properties of 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile?
3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile has a molecular weight of 5589.87 g/mol, XLogP of 104.87, 28 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1]benzofuro[3,2-c]carbazol-5-yl)-4-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;3-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]phenyl]benzonitrile;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)phenyl]-3-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)benzonitrile;5-[4-[3,5-bis(trifluoromethyl)phenyl]-2-[4-isocyano-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-3-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 158511309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).