C421H296N16Si2 — CID 157328251
3-tert-butyl-11,12-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-11,12-diphenylindolo[2,3-a]carbazole;11,12-diphenyl-3,8-bis(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2,9-bis(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;11,12-diphenyl-3-(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-triphenylsilane (PubChem CID 157328251) has the molecular formula C421H296N16Si2 and a molecular weight of 5635.28 g/mol. Its IUPAC name is 3-tert-butyl-11,12-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-11,12-diphenylindolo[2,3-a]carbazole;11,12-diphenyl-3,8-bis(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2,9-bis(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;11,12-diphenyl-3-(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-triphenylsilane.
| Compound Name | 3-tert-butyl-11,12-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-11,12-diphenylindolo[2,3-a]carbazole;11,12-diphenyl-3,8-bis(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2,9-bis(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;11,12-diphenyl-3-(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-triphenylsilane |
|---|---|
| PubChem CID | 157328251 |
| Molecular Formula | C421H296N16Si2 |
| Molecular Weight | 5635.28 g/mol |
| Exact Mass | 5630.32 |
| IUPAC Name | 3-tert-butyl-11,12-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-11,12-diphenylindolo[2,3-a]carbazole;11,12-diphenyl-3,8-bis(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2,9-bis(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;11,12-diphenyl-3-(9-phenylfluoren-9-yl)indolo[2,3-a]carbazole;5,12-diphenyl-2-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylfluoren-9-yl)indolo[3,2-c]carbazole;(11,12-diphenyl-3-triphenylsilylindolo[2,3-a]carbazol-8-yl)-triphenylsilane |
| SMILES | CC(C)(C)c1ccc2c(c1)c1ccc3c4cc(C(C)(C)C)ccc4n(-c4ccccc4)c3c1n2-c1ccccc1.CC(C)(C)c1ccc2c(c1)c1ccc3c4ccccc4n(-c4ccccc4)c3c1n2-c1ccccc1.c1ccc(-n2c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3c3c2ccc2c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3c3c2ccc2c4ccccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccc(C4(c5ccccc5)c5ccccc5-c5ccccc54)cc3c3ccc4c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2c3ccc([Si](c4ccccc4)(c4ccccc4)c4ccccc4)cc3c3ccc4c5cc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)ccc5n(-c5ccccc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4n(-c4ccccc4)c23)cc1.c1ccc(-n2c3ccccc3c3ccc4c5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5n(-c5ccccc5)c4c32)cc1 |
| InChI | InChI=1S/2C68H44N2.C66H48N2Si2.3C49H32N2.C38H36N2.C34H28N2/c1-5-21-45(22-6-1)67(59-33-17-13-29-51(59)52-30-14-18-34-60(52)67)47-37-41-63-57(43-47)55-39-40-56-58-44-48(68(46-23-7-2-8-24-46)61-35-19-15-31-53(61)54-32-16-20-36-62(54)68)38-42-64(58)70(50-27-11-4-12-28-50)66(56)65(55)69(63)49-25-9-3-10-26-49;1-5-21-45(22-6-1)67(58-33-17-13-29-51(58)52-30-14-18-34-59(52)67)47-37-40-62-56(43-47)55-39-42-64-65(66(55)70(62)50-27-11-4-12-28-50)57-44-48(38-41-63(57)69(64)49-25-9-3-10-26-49)68(46-23-7-2-8-24-46)60-35-19-15-31-53(60)54-32-16-20-36-61(54)68;1-9-25-49(26-10-1)67-63-45-41-57(69(51-29-13-3-14-30-51,52-31-15-4-16-32-52)53-33-17-5-18-34-53)47-61(63)59-43-44-60-62-48-58(42-46-64(62)68(66(60)65(59)67)50-27-11-2-12-28-50)70(54-35-19-6-20-36-54,55-37-21-7-22-38-55)56-39-23-8-24-40-56;1-4-16-33(17-5-1)49(43-25-13-10-22-37(43)38-23-11-14-26-44(38)49)34-28-31-46-42(32-34)41-30-29-40-39-24-12-15-27-45(39)50(35-18-6-2-7-19-35)47(40)48(41)51(46)36-20-8-3-9-21-36;1-4-16-33(17-5-1)49(42-25-13-10-22-37(42)38-23-11-14-26-43(38)49)34-28-30-45-41(32-34)39-29-31-46-47(48(39)51(45)36-20-8-3-9-21-36)40-24-12-15-27-44(40)50(46)35-18-6-2-7-19-35;1-4-16-33(17-5-1)49(42-25-13-10-22-37(42)38-23-11-14-26-43(38)49)34-28-30-45-41(32-34)47-46(50(45)35-18-6-2-7-19-35)31-29-40-39-24-12-15-27-44(39)51(48(40)47)36-20-8-3-9-21-36;1-37(2,3)25-17-21-33-31(23-25)29-19-20-30-32-24-26(38(4,5)6)18-22-34(32)40(28-15-11-8-12-16-28)36(30)35(29)39(33)27-13-9-7-10-14-27;1-34(2,3)23-18-21-31-29(22-23)28-20-19-27-26-16-10-11-17-30(26)35(24-12-6-4-7-13-24)32(27)33(28)36(31)25-14-8-5-9-15-25/h2*1-44H;1-48H;3*1-32H;7-24H,1-6H3;4-22H,1-3H3 |
| InChIKey | BEZAYAVMCRWWLX-UHFFFAOYSA-N |
| XLogP | 100.24 |
| TPSA | 78.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 439 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5635.28 |
| LogP ≤ 5 | 100.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |