About 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole
5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (PubChem CID 159237824) has the molecular formula C316H190F18N18O2S2
and a molecular weight of 4677.22 g/mol. Its IUPAC name is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.
Frequently Asked Questions
What is the IUPAC name of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The IUPAC name of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole (CID 159237824) is 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole.
What is the SMILES notation for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The canonical SMILES for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is [C-]#[N+]c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c1ccc1c3ccccc3n(-c3ccccc3)c12.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4c(ccc32)-c2ccccc2C4(C)C)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3c(ccc21)-c1ccccc1C3(C)C.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2c3oc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3c4sc5ccccc5c4ccc32)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1-n1c2ccccc2c2c3sc4ccccc4c3ccc21.[C-]#[N+]c1ccc(-n2c3ccccc3c3cc4c(cc32)C(c2ccccc2)c2ccccc2-4)cc1-c1cc(-c2ccc(C(F)(F)F)cc2C)ccc1-n1c2ccccc2c2cc3c4ccccc4n(-c4ccccc4)c3cc21.
What is the InChIKey of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
The InChIKey is KTRZPYSUQVMEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43F3N4.C69H42F3N5.C63H44F3N3.C57H29F6N3S2.C57H32F3N3O2/c1-42-35-45(70(71,72)73)30-32-48(42)44-29-34-65(77-64-28-16-13-24-52(64)59-39-58-51-23-11-14-26-62(51)75(67(58)41-68(59)77)46-19-7-4-8-20-46)56(36-44)55-37-47(31-33-61(55)74-2)76-63-27-15-12-22-50(63)57-38-54-49-21-9-10-25-53(49)69(60(54)40-66(57)76)43-17-5-3-6-18-43;1-42-39-44(69(70,71)72)30-32-48(42)43-29-36-62(77-61-28-16-12-24-54(61)66-64(77)38-34-52-50-22-10-14-26-59(50)76(68(52)66)46-19-7-4-8-20-46)56(40-43)55-41-47(31-35-57(55)73-2)74-60-27-15-11-23-53(60)65-63(74)37-33-51-49-21-9-13-25-58(49)75(67(51)65)45-17-5-3-6-18-45;1-36-33-38(63(64,65)66)24-26-40(36)37-23-30-54(69-53-22-14-10-18-46(53)58-56(69)32-28-44-42-16-8-12-20-50(42)62(4,5)60(44)58)48(34-37)47-35-39(25-29-51(47)67-6)68-52-21-13-9-17-45(52)57-55(68)31-27-43-41-15-7-11-19-49(41)61(2,3)59(43)57;1-64-44-24-20-33(65-45-14-6-2-12-39(45)52-48(65)26-22-37-35-10-4-8-16-50(35)67-54(37)52)30-41(44)42-28-31(34-21-19-32(56(58,59)60)29-43(34)57(61,62)63)18-25-47(42)66-46-15-7-3-13-40(46)53-49(66)27-23-38-36-11-5-9-17-51(36)68-55(38)53;1-32-29-34(57(58,59)60)20-22-36(32)33-19-26-48(63-47-16-8-4-14-42(47)54-50(63)28-24-40-38-12-6-10-18-52(38)65-56(40)54)44(30-33)43-31-35(21-25-45(43)61-2)62-46-15-7-3-13-41(46)53-49(62)27-23-39-37-11-5-9-17-51(37)64-55(39)53/h3-41,69H,1H3;3-41H,1H3;7-35H,1-5H3;2-30H;3-31H,1H3.
What are the key properties of 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole?
5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole has a molecular weight of 4677.22 g/mol, XLogP of 91.77, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-([1]benzofuro[3,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-[1]benzofuro[3,2-c]carbazole;5-[3-[2-([1]benzothiolo[3,2-c]carbazol-5-yl)-5-[2,4-bis(trifluoromethyl)phenyl]phenyl]-4-isocyanophenyl]-[1]benzothiolo[3,2-c]carbazole;5-[2-[5-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)-2-isocyanophenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-12,12-dimethylindeno[1,2-c]carbazole;5-[4-isocyano-3-[5-[2-methyl-4-(trifluoromethyl)phenyl]-2-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole;5-[2-[2-isocyano-5-(7-phenyl-7H-indeno[2,1-b]carbazol-5-yl)phenyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]phenyl]-7-phenylindolo[2,3-b]carbazole is sourced from PubChem (CID 159237824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).