C279H179N29 — CID 158245863
12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 158245863) has the molecular formula C279H179N29 and a molecular weight of 3937.70 g/mol. Its IUPAC name is 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
| Compound Name | 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 158245863 |
| Molecular Formula | C279H179N29 |
| Molecular Weight | 3937.70 g/mol |
| Exact Mass | 3934.49 |
| IUPAC Name | 12-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenylindolo[2,3-a]carbazole;12-(2,6-diphenyl-4-pyridinyl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[2,3-a]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(4-phenylphenyl)indolo[2,3-a]carbazole;11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)cc(-c3ccccc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5c43)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1 |
| InChI | InChI=1S/C63H39N7.C51H33N5.C45H29N5.C41H27N3.C40H26N4.C39H25N5/c1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-30-16-12-26-47(55)51-38-36-49-45-24-10-14-28-53(45)67(57(49)59(51)69)43-20-6-2-7-21-43)66-63(65-61)70-56-31-17-13-27-48(56)52-39-37-50-46-25-11-15-29-54(46)68(58(50)60(52)70)44-22-8-3-9-23-44;1-4-16-34(17-5-1)36-20-14-22-38(32-36)49-52-50(39-23-15-21-37(33-39)35-18-6-2-7-19-35)54-51(53-49)56-46-29-13-11-27-42(46)44-31-30-43-41-26-10-12-28-45(41)55(47(43)48(44)56)40-24-8-3-9-25-40;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-22-12-10-20-35(39)37-28-29-38-36-21-11-13-23-40(36)50(42(38)41(37)49)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-28(15-5-1)36-26-31(27-37(42-36)29-16-6-2-7-17-29)44-39-23-13-11-21-33(39)35-25-24-34-32-20-10-12-22-38(32)43(40(34)41(35)44)30-18-8-3-9-19-30;1-4-14-27(15-5-1)34-26-35(28-16-6-2-7-17-28)42-40(41-34)44-37-23-13-11-21-31(37)33-25-24-32-30-20-10-12-22-36(30)43(38(32)39(33)44)29-18-8-3-9-19-29;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-34-23-13-11-21-30(34)32-25-24-31-29-20-10-12-22-33(29)43(35(31)36(32)44)28-18-8-3-9-19-28/h1-39H;1-33H;1-29H;1-27H;1-26H;1-25H |
| InChIKey | GGCLGVHUUPEIPT-UHFFFAOYSA-N |
| XLogP | 69.41 |
| TPSA | 262.37 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 308 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3937.70 |
| LogP ≤ 5 | 69.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |