C195H127N15 — CID 165033294
2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole (PubChem CID 165033294) has the molecular formula C195H127N15 and a molecular weight of 2680.27 g/mol. Its IUPAC name is 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole.
| Compound Name | 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 165033294 |
| Molecular Formula | C195H127N15 |
| Molecular Weight | 2680.27 g/mol |
| Exact Mass | 2678.04 |
| IUPAC Name | 2,5-diphenyl-9-(3-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;5-phenyl-9-(4-phenylphenyl)-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole;2,5,9-triphenyl-12-[4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2ccc(-c3ccc4c(c3)c3ccc5c(c6ccccc6n5-c5ccccc5)c3n4-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc(-c6ccccc6)c5)cc4)n3)cc2)cc1.c1ccc(-c2cccc(-c3ccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7cccc(-c8ccccc8)c7)cc6c6ccc7c(c8cc(-c9ccccc9)ccc8n7-c7ccccc7)c65)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccc(-c7ccccc7)cc6c6ccc7c(c8cc(-c9ccccc9)ccc8n7-c7ccccc7)c65)n4)c3)c2)cc1 |
| InChI | InChI=1S/C69H45N5.2C63H41N5/c1-6-18-46(19-7-1)52-26-16-28-54(42-52)49-32-34-51(35-33-49)68-70-67(50-24-12-4-13-25-50)71-69(72-68)74-62-39-37-57(55-29-17-27-53(43-55)47-20-8-2-9-21-47)44-60(62)59-38-41-64-65(66(59)74)61-45-56(48-22-10-3-11-23-48)36-40-63(61)73(64)58-30-14-5-15-31-58;1-6-18-42(19-7-1)46-26-16-27-47(38-46)48-28-17-29-51(39-48)62-64-61(45-24-12-4-13-25-45)65-63(66-62)68-56-35-32-49(43-20-8-2-9-21-43)40-54(56)53-34-37-58-59(60(53)68)55-41-50(44-22-10-3-11-23-44)33-36-57(55)67(58)52-30-14-5-15-31-52;1-5-16-42(17-6-1)44-28-30-46(31-29-44)51-36-38-57-55(41-51)53-37-39-58-59(54-26-13-14-27-56(54)67(58)52-24-11-4-12-25-52)60(53)68(57)63-65-61(47-20-9-3-10-21-47)64-62(66-63)48-34-32-45(33-35-48)50-23-15-22-49(40-50)43-18-7-2-8-19-43/h1-45H;2*1-41H |
| InChIKey | MZNXYQFJQTYDQR-UHFFFAOYSA-N |
| XLogP | 49.87 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2680.27 |
| LogP ≤ 5 | 49.87 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |