About 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 161125613) has the molecular formula C361H222F21N21O2S2
and a molecular weight of 5348.98 g/mol. Its IUPAC name is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.
Frequently Asked Questions
What is the IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 161125613) is 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is Cc1cc(-c2ccc(-c3ccccc3-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c(-n3c4ccccc4c4cc5c6ccccc6n(-c6ccccc6)c5cc43)c2)cc(C(F)(F)F)c1.Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1-c1ccc(C#N)cc1-n1c2ccccc2c2cc(C)ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3c4oc5ccccc5c4ccc32)c1.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c(-c2ccc(-c3cc(C)cc(C(F)(F)F)c3)cc2-n2c3ccccc3c3c4sc5ccccc5c4ccc32)c1.
What is the InChIKey of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is ULNCYJCFUOQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H42F3N5.C68H43F3N4.C63H44F3N3.C57H32F3N3O2.C57H32F3N3S2.C47H29F6N3/c1-42-37-44(39-45(38-42)69(70,71)72)43-29-31-51(64(40-43)77-60-28-16-12-24-55(60)66-63(77)36-33-53-50-22-10-14-26-58(50)75(68(53)66)48-19-7-4-8-20-48)56-41-46(73-2)30-34-61(56)76-59-27-15-11-23-54(59)65-62(76)35-32-52-49-21-9-13-25-57(49)74(67(52)65)47-17-5-3-6-18-47;1-42-34-44(36-45(35-42)68(69,70)71)43-32-33-53(63(37-43)75-62-31-17-12-26-52(62)57-39-55-50-24-10-14-28-59(50)73(65(55)41-67(57)75)47-20-6-3-7-21-47)48-22-8-15-29-60(48)74-61-30-16-11-25-51(61)56-38-54-49-23-9-13-27-58(49)72(64(54)40-66(56)74)46-18-4-2-5-19-46;1-36-31-38(33-39(32-36)63(64,65)66)37-23-25-43(56(34-37)69-52-22-14-10-18-47(52)58-55(69)30-27-45-42-16-8-12-20-50(42)62(4,5)60(45)58)48-35-40(67-6)24-28-53(48)68-51-21-13-9-17-46(51)57-54(68)29-26-44-41-15-7-11-19-49(41)61(2,3)59(44)57;2*1-32-27-34(29-35(28-32)57(58,59)60)33-19-21-37(50(30-33)63-46-16-8-4-14-43(46)54-49(63)26-23-41-39-12-6-10-18-52(39)65-56(41)54)44-31-36(61-2)20-24-47(44)62-45-15-7-3-13-42(45)53-48(62)25-22-40-38-11-5-9-17-51(38)64-55(40)53;1-27-11-16-42-37(19-27)34-7-3-5-9-40(34)55(42)44-18-14-30(31-22-32(46(48,49)50)25-33(23-31)47(51,52)53)24-39(44)36-15-13-29(26-54)21-45(36)56-41-10-6-4-8-35(41)38-20-28(2)12-17-43(38)56/h3-41H,1H3;2-41H,1H3;7-35H,1-5H3;2*3-31H,1H3;3-25H,1-2H3.
What are the key properties of 5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[2-[2-([1]benzofuro[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 5348.98 g/mol, XLogP of 104.19, 28 rotatable bonds, 0 hydrogen bond donors, and 21 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-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[2-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-[1]benzothiolo[3,2-c]carbazole;4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-(3-methylcarbazol-9-yl)phenyl]-3-(3-methylcarbazol-9-yl)benzonitrile;5-[2-[2-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-5-isocyanophenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[4-[3-methyl-5-(trifluoromethyl)phenyl]-2-(7-phenylindolo[2,3-b]carbazol-5-yl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 161125613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).