4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

C330H170F18N28O4S4 — CID 161030402

IUPAC4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1-c1c(C#N)cccc1C(F)(F)F.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc1C#N
InChIInChI=1S/2C63H35F3N6.2C51H25F3N4O2.2C51H25F3N4S2/c1-68-49-26-16-25-48(63(64,65)66)58(49)47-36-57(72-51-28-13-9-22-42(51)44-32-34-55-60(62(44)72)46-24-11-15-30-53(46)70(55)40-19-6-3-7-20-40)56(35-38(47)37-67)71-50-27-12-8-21-41(50)43-31-33-54-59(61(43)71)45-23-10-14-29-52(45)69(54)39-17-4-2-5-18-39;1-68-51-26-16-25-50(63(64,65)66)58(51)49-36-57(72-55-30-15-11-24-44(55)48-34-32-46-42-22-9-13-28-53(42)70(60(46)62(48)72)40-19-6-3-7-20-40)56(35-38(49)37-67)71-54-29-14-10-23-43(54)47-33-31-45-41-21-8-12-27-52(41)69(59(45)61(47)71)39-17-4-2-5-18-39;1-56-37-16-10-15-36(51(52,53)54)46(37)35-26-41(58-39-18-7-3-12-30(39)32-22-24-45-48(50(32)58)34-14-5-9-20-43(34)60-45)40(25-28(35)27-55)57-38-17-6-2-11-29(38)31-21-23-44-47(49(31)57)33-13-4-8-19-42(33)59-44;52-51(53,54)39-15-9-10-28(26-55)46(39)38-25-43(58-41-17-6-2-12-31(41)35-21-23-37-33-14-4-8-19-45(33)60-50(37)48(35)58)42(24-29(38)27-56)57-40-16-5-1-11-30(40)34-20-22-36-32-13-3-7-18-44(32)59-49(36)47(34)57;1-56-37-16-10-15-36(51(52,53)54)46(37)35-26-41(58-39-18-7-3-12-30(39)32-22-24-45-48(50(32)58)34-14-5-9-20-43(34)60-45)40(25-28(35)27-55)57-38-17-6-2-11-29(38)31-21-23-44-47(49(31)57)33-13-4-8-19-42(33)59-44;1-56-39-16-10-15-38(51(52,53)54)46(39)37-26-43(58-41-18-7-3-12-30(41)34-22-24-36-32-14-5-9-20-45(32)60-50(36)48(34)58)42(25-28(37)27-55)57-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)59-49(35)47(33)57/h2*2-36H;2-26H;1-25H;2*2-26H
InChIKeyTZNPVVVIHZNHHM-UHFFFAOYSA-N
MW5061.41 g/mol
LogP94.71
Rot. Bonds22

About 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile

4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (PubChem CID 161030402) has the molecular formula C330H170F18N28O4S4 and a molecular weight of 5061.41 g/mol. Its IUPAC name is 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.

Molecular Properties

Compound Name4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
PubChem CID161030402
Molecular FormulaC330H170F18N28O4S4
Molecular Weight5061.41 g/mol
Exact Mass5057.26
IUPAC Name4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile
SMILESN#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1-c1c(C#N)cccc1C(F)(F)F.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc1C#N
InChIInChI=1S/2C63H35F3N6.2C51H25F3N4O2.2C51H25F3N4S2/c1-68-49-26-16-25-48(63(64,65)66)58(49)47-36-57(72-51-28-13-9-22-42(51)44-32-34-55-60(62(44)72)46-24-11-15-30-53(46)70(55)40-19-6-3-7-20-40)56(35-38(47)37-67)71-50-27-12-8-21-41(50)43-31-33-54-59(61(43)71)45-23-10-14-29-52(45)69(54)39-17-4-2-5-18-39;1-68-51-26-16-25-50(63(64,65)66)58(51)49-36-57(72-55-30-15-11-24-44(55)48-34-32-46-42-22-9-13-28-53(42)70(60(46)62(48)72)40-19-6-3-7-20-40)56(35-38(49)37-67)71-54-29-14-10-23-43(54)47-33-31-45-41-21-8-12-27-52(41)69(59(45)61(47)71)39-17-4-2-5-18-39;1-56-37-16-10-15-36(51(52,53)54)46(37)35-26-41(58-39-18-7-3-12-30(39)32-22-24-45-48(50(32)58)34-14-5-9-20-43(34)60-45)40(25-28(35)27-55)57-38-17-6-2-11-29(38)31-21-23-44-47(49(31)57)33-13-4-8-19-42(33)59-44;52-51(53,54)39-15-9-10-28(26-55)46(39)38-25-43(58-41-17-6-2-12-31(41)35-21-23-37-33-14-4-8-19-45(33)60-50(37)48(35)58)42(24-29(38)27-56)57-40-16-5-1-11-30(40)34-20-22-36-32-13-3-7-18-44(32)59-49(36)47(34)57;1-56-37-16-10-15-36(51(52,53)54)46(37)35-26-41(58-39-18-7-3-12-30(39)32-22-24-45-48(50(32)58)34-14-5-9-20-43(34)60-45)40(25-28(35)27-55)57-38-17-6-2-11-29(38)31-21-23-44-47(49(31)57)33-13-4-8-19-42(33)59-44;1-56-39-16-10-15-38(51(52,53)54)46(39)37-26-43(58-41-18-7-3-12-30(41)34-22-24-36-32-14-5-9-20-45(32)60-50(36)48(34)58)42(25-28(37)27-55)57-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)59-49(35)47(33)57/h2*2-36H;2-26H;1-25H;2*2-26H
InChIKeyTZNPVVVIHZNHHM-UHFFFAOYSA-N
XLogP94.71
TPSA319.77 Ų
H-Bond Donors
H-Bond Acceptors31
Rotatable Bonds22
Heavy Atoms384
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005061.41
LogP ≤ 594.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1031

Analyze 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile with MolForge

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Related Compounds

21-Phenyl-6-[4-(5,14,23-trifluoro-9-phenyl-21-oxa-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12(17),13,15,19,22(27),23,25-dodecaen-18-yl)phenyl]-18-oxa-9-thia-21-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3(8),4,6,10,12,14,16,19,22,24,26-dodecaene
CID 134232976
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
3-([1]Benzofuro[3,2-a]carbazol-12-yl)-5-[3-[12-[3-([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2,6-bis(trifluoromethyl)phenyl]-5-cyanophenyl]-[1]benzofuro[2,3-a]carbazol-2-yl]-[1]benzofuro[3,2-a]carbazol-12-yl]-4-[2,6-bis(trifluoromethyl)phenyl]benzonitrile
CID 146520021
4-([1]Benzofuro[3,2-c]carbazol-5-yl)-3-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-([1]benzothiolo[3,2-c]carbazol-5-yl)-3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;4-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-3-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]benzonitrile;9-[3-isocyano-2-[2-(3-methylcarbazol-9-yl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]phenyl]-3-methylcarbazole;3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]-4-(7-phenylindolo[2,3-b]carbazol-5-yl)benzonitrile;3-[5-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-4-(12-phenylindolo[3,2-c]carbazol-5-yl)benzonitrile
CID 157265144
2-([1]Benzofuro[2,3-a]carbazol-12-yl)-3,5,6-tri(carbazol-9-yl)benzene-1,4-dicarbonitrile;2,3,5-tri(carbazol-9-yl)-6-(2-pyridin-2-yl-[1]benzofuro[2,3-a]carbazol-12-yl)benzene-1,4-dicarbonitrile;2,3,5-tri(carbazol-9-yl)-6-[2-(trifluoromethyl)-[1]benzothiolo[2,3-a]carbazol-12-yl]benzene-1,4-dicarbonitrile
CID 157627472
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-2-(3,5-difluorophenyl)-5-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[2-(2,6-difluorophenyl)-3-(2-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-2-methylcarbazole;9-[2-(2,6-difluorophenyl)-3-(3-methylcarbazol-9-yl)-5-(trifluoromethyl)phenyl]-3-methylcarbazole
CID 157918201
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzofuro[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[3,2-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole
CID 158304035
2,6-bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[2,1-a]carbazol-11-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(12H-indeno[2,1-a]carbazol-11-yl)benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[2,3-a]carbazol-12-yl)benzonitrile
CID 158465957
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
3-[2,6-Bis([1]benzofuro[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzofuro[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(11-methylindolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(5-methylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile;3-[2,6-bis(5-phenylindolo[3,2-c]carbazol-12-yl)-4-(trifluoromethyl)phenyl]benzonitrile
CID 158582371
12-[3-([1]Benzofuro[2,3-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-([1]benzothiolo[2,3-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[2,3-a]carbazole;12-[3-([1]benzothiolo[3,2-a]carbazol-12-yl)-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-a]carbazole;9-[3-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-5-(3,5-difluorophenyl)-2-(trifluoromethyl)phenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[5-(3,5-difluorophenyl)-3-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[5-(3,5-difluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 158679397
2,6-bis([1]benzofuro[2,3-b]carbazol-7-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[2,3-b]carbazol-7-yl)-4-[2-cyano-4-(trifluoromethyl)phenyl]benzonitrile;2,6-bis([1]benzothiolo[3,2-b]carbazol-11-yl)-4-[4-cyano-2-(trifluoromethyl)phenyl]benzonitrile;4-[2-cyano-4-(trifluoromethyl)phenyl]-2,6-bis(7H-indeno[2,1-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indeno[1,2-b]carbazol-5-yl)benzonitrile;4-[4-cyano-2-(trifluoromethyl)phenyl]-2,6-bis(11H-indolo[3,2-b]carbazol-5-yl)benzonitrile
CID 158889183

Frequently Asked Questions

What is the IUPAC name of 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The IUPAC name of 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile (CID 161030402) is 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile.
What is the SMILES notation for 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The canonical SMILES for 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is N#Cc1cc(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5oc4c32)cc1-c1c(C#N)cccc1C(F)(F)F.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)c(-n2c3ccccc3c3ccc4c5ccccc5sc4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4oc5ccccc5c4c32)cc1C#N.[C-]#[N+]c1cccc(C(F)(F)F)c1-c1cc(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)c(-n2c3ccccc3c3ccc4sc5ccccc5c4c32)cc1C#N.
What is the InChIKey of 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
The InChIKey is TZNPVVVIHZNHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C63H35F3N6.2C51H25F3N4O2.2C51H25F3N4S2/c1-68-49-26-16-25-48(63(64,65)66)58(49)47-36-57(72-51-28-13-9-22-42(51)44-32-34-55-60(62(44)72)46-24-11-15-30-53(46)70(55)40-19-6-3-7-20-40)56(35-38(47)37-67)71-50-27-12-8-21-41(50)43-31-33-54-59(61(43)71)45-23-10-14-29-52(45)69(54)39-17-4-2-5-18-39;1-68-51-26-16-25-50(63(64,65)66)58(51)49-36-57(72-55-30-15-11-24-44(55)48-34-32-46-42-22-9-13-28-53(42)70(60(46)62(48)72)40-19-6-3-7-20-40)56(35-38(49)37-67)71-54-29-14-10-23-43(54)47-33-31-45-41-21-8-12-27-52(41)69(59(45)61(47)71)39-17-4-2-5-18-39;1-56-37-16-10-15-36(51(52,53)54)46(37)35-26-41(58-39-18-7-3-12-30(39)32-22-24-45-48(50(32)58)34-14-5-9-20-43(34)60-45)40(25-28(35)27-55)57-38-17-6-2-11-29(38)31-21-23-44-47(49(31)57)33-13-4-8-19-42(33)59-44;52-51(53,54)39-15-9-10-28(26-55)46(39)38-25-43(58-41-17-6-2-12-31(41)35-21-23-37-33-14-4-8-19-45(33)60-50(37)48(35)58)42(24-29(38)27-56)57-40-16-5-1-11-30(40)34-20-22-36-32-13-3-7-18-44(32)59-49(36)47(34)57;1-56-37-16-10-15-36(51(52,53)54)46(37)35-26-41(58-39-18-7-3-12-30(39)32-22-24-45-48(50(32)58)34-14-5-9-20-43(34)60-45)40(25-28(35)27-55)57-38-17-6-2-11-29(38)31-21-23-44-47(49(31)57)33-13-4-8-19-42(33)59-44;1-56-39-16-10-15-38(51(52,53)54)46(39)37-26-43(58-41-18-7-3-12-30(41)34-22-24-36-32-14-5-9-20-45(32)60-50(36)48(34)58)42(25-28(37)27-55)57-40-17-6-2-11-29(40)33-21-23-35-31-13-4-8-19-44(31)59-49(35)47(33)57/h2*2-36H;2-26H;1-25H;2*2-26H.
What are the key properties of 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile?
4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile has a molecular weight of 5061.41 g/mol, XLogP of 94.71, 22 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis([1]benzofuro[2,3-a]carbazol-12-yl)-2-[2-cyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzofuro[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[2,3-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;4,5-bis([1]benzothiolo[3,2-a]carbazol-12-yl)-2-[2-isocyano-6-(trifluoromethyl)phenyl]benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)benzonitrile;2-[2-isocyano-6-(trifluoromethyl)phenyl]-4,5-bis(5-phenylindolo[3,2-c]carbazol-12-yl)benzonitrile is sourced from PubChem (CID 161030402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).