About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile (PubChem CID 158911864) has the molecular formula C362H221F21N22O2S2
and a molecular weight of 5373.99 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile.
Frequently Asked Questions
What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile (CID 158911864) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile is CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc(-c2c(C(F)(F)F)cccc2C(F)(F)F)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1cc(-c2c(C)cccc2C(F)(F)F)ccc1-n1c2ccccc2c2cc(C)ccc21.[C-]#[N+]c1ccc(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.[C-]#[N+]c1ccc(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-c2cc(-c3c(C)cccc3C(F)(F)F)ccc2-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c(-n2c3ccccc3c3cc4c5ccccc5n(-c5ccccc5)c4cc32)c1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile?
The InChIKey is JGTDCURVQZMWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C69H42F3N5.C63H41F6N3.C57H32F3N3O2.C57H32F3N3S2.C47H32F3N3/c1-42-18-17-27-55(69(70,71)72)64(42)43-32-37-60(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)54(40-43)49-34-33-44(73-2)41-63(49)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;1-42-18-17-27-57(69(70,71)72)68(42)43-32-35-62(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)52(36-43)51-34-33-44(73-2)37-63(51)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;1-60(2)45-18-9-5-14-37(45)40-27-30-52-56(58(40)60)42-16-7-11-22-49(42)71(52)51-29-25-36(55-47(62(64,65)66)20-13-21-48(55)63(67,68)69)33-44(51)39-26-24-35(34-70)32-54(39)72-50-23-12-8-17-43(50)57-53(72)31-28-41-38-15-6-10-19-46(38)61(3,4)59(41)57;2*1-32-12-11-17-43(57(58,59)60)52(32)33-22-27-46(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)42(30-33)35-24-23-34(61-2)31-49(35)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;1-28-15-19-42-35(23-28)33-10-4-6-13-40(33)52(42)44-21-17-31(27-51)25-37(44)38-26-32(46-30(3)9-8-12-39(46)47(48,49)50)18-22-45(38)53-41-14-7-5-11-34(41)36-24-29(2)16-20-43(36)53/h2*3-41H,1H3;5-33H,1-4H3;2*3-31H,1H3;4-26H,1-3H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile has a molecular weight of 5373.99 g/mol, XLogP of 104.06, 28 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-4-isocyanophenyl]-4-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[2,6-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-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole;5-[5-isocyano-2-[5-[2-methyl-6-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;4-(3-methylcarbazol-9-yl)-3-[2-(3-methylcarbazol-9-yl)-5-[2-methyl-6-(trifluoromethyl)phenyl]phenyl]benzonitrile is sourced from PubChem (CID 158911864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).