C451H277N43 — CID 161251054
12-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-[4-(3,5-diphenylphenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[6-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]indolo[2,3-a]carbazole;5-phenyl-11-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole (PubChem CID 161251054) has the molecular formula C451H277N43 and a molecular weight of 6298.48 g/mol. Its IUPAC name is 12-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-[4-(3,5-diphenylphenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[6-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]indolo[2,3-a]carbazole;5-phenyl-11-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole.
| Compound Name | 12-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-[4-(3,5-diphenylphenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[6-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]indolo[2,3-a]carbazole;5-phenyl-11-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 161251054 |
| Molecular Formula | C451H277N43 |
| Molecular Weight | 6298.48 g/mol |
| Exact Mass | 6293.30 |
| IUPAC Name | 12-[3,5-bis(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4,6-bis(11-phenylindolo[2,3-a]carbazol-12-yl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;11-[4-(3,5-diphenylphenyl)-6-(5-phenylindolo[3,2-b]carbazol-11-yl)-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-b]carbazole;11-phenyl-12-[3-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[6-(11-phenylindolo[2,3-a]carbazol-12-yl)-2-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]pyrimidin-4-yl]indolo[2,3-a]carbazole;5-phenyl-11-[4-(5-phenylindolo[3,2-b]carbazol-11-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)c2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)nc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccccc4)n3)cc2)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)cc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)c6)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6nc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)cc(-n7c8ccccc8c8ccc9c%10ccccc%10n(-c%10ccccc%10)c9c87)n6)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)nc(-n6c7ccccc7c7ccc8c9ccccc9n(-c9ccccc9)c8c76)n5)c4c32)cc1 |
| InChI | InChI=1S/C84H52N6.C82H50N8.C78H48N6.C75H45N9.C69H43N7.C63H39N7/c1-4-22-55(23-5-1)85-73-34-16-10-28-61(73)67-44-45-68-64-31-13-19-37-76(64)88(80(68)79(67)85)58-42-40-53(41-43-58)54-50-59(89-77-38-20-14-32-65(77)71-48-46-69-62-29-11-17-35-74(62)86(81(69)83(71)89)56-24-6-2-7-25-56)52-60(51-54)90-78-39-21-15-33-66(78)72-49-47-70-63-30-12-18-36-75(63)87(82(70)84(72)90)57-26-8-3-9-27-57;1-4-22-52(23-5-1)85-68-34-16-10-28-56(68)62-44-45-63-57-29-13-19-37-71(57)88(77(63)76(62)85)55-42-40-51(41-43-55)82-83-74(89-72-38-20-14-32-60(72)66-48-46-64-58-30-11-17-35-69(58)86(78(64)80(66)89)53-24-6-2-7-25-53)50-75(84-82)90-73-39-21-15-33-61(73)67-49-47-65-59-31-12-18-36-70(59)87(79(65)81(67)90)54-26-8-3-9-27-54;1-4-22-49(23-5-1)79-67-34-16-10-28-55(67)61-40-43-64-58-31-13-19-37-70(58)82(76(64)73(61)79)52-46-53(83-71-38-20-14-32-59(71)65-44-41-62-56-29-11-17-35-68(56)80(74(62)77(65)83)50-24-6-2-7-25-50)48-54(47-52)84-72-39-21-15-33-60(72)66-45-42-63-57-30-12-18-36-69(57)81(75(63)78(66)84)51-26-8-3-9-27-51;1-4-22-46(23-5-1)79-61-34-16-10-28-49(61)55-40-43-58-52-31-13-19-37-64(52)82(70(58)67(55)79)73-76-74(83-65-38-20-14-32-53(65)59-44-41-56-50-29-11-17-35-62(50)80(68(56)71(59)83)47-24-6-2-7-25-47)78-75(77-73)84-66-39-21-15-33-54(66)60-45-42-57-51-30-12-18-36-63(51)81(69(57)72(60)84)48-26-8-3-9-27-48;1-5-21-44(22-6-1)46-37-47(45-23-7-2-8-24-45)39-48(38-46)67-70-68(75-61-35-19-15-31-53(61)57-40-63-55(42-65(57)75)51-29-13-17-33-59(51)73(63)49-25-9-3-10-26-49)72-69(71-67)76-62-36-20-16-32-54(62)58-41-64-56(43-66(58)76)52-30-14-18-34-60(52)74(64)50-27-11-4-12-28-50;1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-30-16-12-26-47(55)51-36-57-49(38-59(51)69)45-24-10-14-28-53(45)67(57)43-20-6-2-7-21-43)66-63(65-61)70-56-31-17-13-27-48(56)52-37-58-50(39-60(52)70)46-25-11-15-29-54(46)68(58)44-22-8-3-9-23-44/h1-52H;1-50H;1-48H;1-45H;1-43H;1-39H |
| InChIKey | VBGSXRGEQJJNFC-UHFFFAOYSA-N |
| XLogP | 114.24 |
| TPSA | 299.55 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 494 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 6298.48 |
| LogP ≤ 5 | 114.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |