C434H284N18S2 — CID 157111040
8-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazol-1-yl]-N,N-diphenyldibenzothiophen-2-amine;7-[1-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[1-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-N,N,9,9-tetraphenylfluoren-2-amine;7'-[1-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-phenylcarbazol-3-yl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1,3-bis(9-phenylcarbazol-3-yl)carbazole (PubChem CID 157111040) has the molecular formula C434H284N18S2 and a molecular weight of 5815.31 g/mol. Its IUPAC name is 8-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazol-1-yl]-N,N-diphenyldibenzothiophen-2-amine;7-[1-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[1-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-N,N,9,9-tetraphenylfluoren-2-amine;7'-[1-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-phenylcarbazol-3-yl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1,3-bis(9-phenylcarbazol-3-yl)carbazole.
| Compound Name | 8-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazol-1-yl]-N,N-diphenyldibenzothiophen-2-amine;7-[1-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[1-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-N,N,9,9-tetraphenylfluoren-2-amine;7'-[1-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-phenylcarbazol-3-yl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1,3-bis(9-phenylcarbazol-3-yl)carbazole |
|---|---|
| PubChem CID | 157111040 |
| Molecular Formula | C434H284N18S2 |
| Molecular Weight | 5815.31 g/mol |
| Exact Mass | 5810.22 |
| IUPAC Name | 8-[3-(8-carbazol-9-yldibenzothiophen-2-yl)-9-phenylcarbazol-1-yl]-N,N-diphenyldibenzothiophen-2-amine;7-[1-(7-carbazol-9-yl-9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine;7-[1-(7-carbazol-9-yl-9,9-diphenylfluoren-2-yl)-9-phenylcarbazol-3-yl]-N,N,9,9-tetraphenylfluoren-2-amine;7'-[1-(7'-carbazol-9-yl-9,9'-spirobi[fluorene]-2'-yl)-9-phenylcarbazol-3-yl]-N,N-diphenyl-9,9'-spirobi[fluorene]-2'-amine;3-(9-naphthalen-1-ylcarbazol-3-yl)-9-phenyl-1-(9-phenylcarbazol-3-yl)carbazole;9-phenyl-1,3-bis(9-phenylcarbazol-3-yl)carbazole |
| SMILES | CC1(C)c2cc(-c3cc(-c4ccc5c(c4)C(C)(C)c4cc(-n6c7ccccc7c7ccccc76)ccc4-5)c4c(c3)c3ccccc3n4-c3ccccc3)ccc2-c2ccc(N(c3ccccc3)c3ccccc3)cc21.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6ccccc56)cc5c6ccccc6n(-c6ccccc6)c45)ccc32)cc1.c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c(c4)c4ccccc4n5-c4ccccc4)ccc32)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2cc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)c5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4cc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5cc(-n7c8ccccc8c8ccccc87)ccc5-6)c5c(c4)c4ccccc4n5-c4ccccc4)ccc2-3)cc1.c1ccc(N(c2ccccc2)c2ccc3sc4ccc(-c5cc(-c6ccc7sc8ccc(-n9c%10ccccc%10c%10ccccc%109)cc8c7c6)cc6c7ccccc7n(-c7ccccc7)c56)cc4c3c2)cc1 |
| InChI | InChI=1S/C92H57N3.C92H61N3.C72H53N3.C66H41N3S2.C58H37N3.C54H35N3/c1-4-24-61(25-5-1)93(62-26-6-2-7-27-62)64-46-50-72-70-48-44-58(54-83(70)91(85(72)56-64)79-37-17-10-30-66(79)67-31-11-18-38-80(67)91)60-52-77(90-78(53-60)76-36-16-23-43-89(76)95(90)63-28-8-3-9-29-63)59-45-49-71-73-51-47-65(94-87-41-21-14-34-74(87)75-35-15-22-42-88(75)94)57-86(73)92(84(71)55-59)81-39-19-12-32-68(81)69-33-13-20-40-82(69)92;1-8-28-65(29-9-1)91(66-30-10-2-11-31-66)83-58-62(48-52-74(83)76-54-50-72(60-85(76)91)93(69-36-16-5-17-37-69)70-38-18-6-19-39-70)64-56-81(90-82(57-64)80-44-24-27-47-89(80)95(90)71-40-20-7-21-41-71)63-49-53-75-77-55-51-73(94-87-45-25-22-42-78(87)79-43-23-26-46-88(79)94)61-86(77)92(84(75)59-63,67-32-12-3-13-33-67)68-34-14-4-15-35-68;1-71(2)63-42-46(32-36-54(63)56-38-34-52(44-65(56)71)73(49-20-8-5-9-21-49)50-22-10-6-11-23-50)48-40-61(70-62(41-48)60-28-16-19-31-69(60)75(70)51-24-12-7-13-25-51)47-33-37-55-57-39-35-53(45-66(57)72(3,4)64(55)43-47)74-67-29-17-14-26-58(67)59-27-15-18-30-68(59)74;1-4-16-45(17-5-1)67(46-18-6-2-7-19-46)48-30-34-64-56(40-48)55-37-43(29-33-63(55)71-64)53-38-44(39-58-52-24-12-15-27-61(52)69(66(53)58)47-20-8-3-9-21-47)42-28-32-62-54(36-42)57-41-49(31-35-65(57)70-62)68-59-25-13-10-22-50(59)51-23-11-14-26-60(51)68;1-3-18-42(19-4-1)59-53-26-12-9-23-45(53)50-35-40(31-33-56(50)59)48-36-41(37-51-47-25-11-13-27-54(47)60(58(48)51)43-20-5-2-6-21-43)39-30-32-57-49(34-39)46-24-10-14-28-55(46)61(57)52-29-15-17-38-16-7-8-22-44(38)52;1-4-16-39(17-5-1)55-49-25-13-10-22-42(49)46-32-36(28-30-52(46)55)38-34-45(54-48(35-38)44-24-12-15-27-51(44)57(54)41-20-8-3-9-21-41)37-29-31-53-47(33-37)43-23-11-14-26-50(43)56(53)40-18-6-2-7-19-40/h1-57H;1-61H;5-45H,1-4H3;1-41H;1-37H;1-35H |
| InChIKey | AGVVQQCZQSZKAH-UHFFFAOYSA-N |
| XLogP | 115.28 |
| TPSA | 81.98 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 454 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5815.31 |
| LogP ≤ 5 | 115.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |