C207H135N15 — CID 158016221
11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 158016221) has the molecular formula C207H135N15 and a molecular weight of 2832.46 g/mol. Its IUPAC name is 11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
| Compound Name | 11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 158016221 |
| Molecular Formula | C207H135N15 |
| Molecular Weight | 2832.46 g/mol |
| Exact Mass | 2830.10 |
| IUPAC Name | 11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3,5-bis(3-phenylphenyl)phenyl]-12-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole;11-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8-c8ccccc8)n7)c6c54)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7cc(-c8cccc(-c9ccccc9)c8)cc(-c8cccc(-c9ccccc9)c8)c7)c6c54)n3)cc2)cc1.c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)cc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8cccc(-c9ccccc9)c8)n7)c6c54)c3)c2)cc1 |
| InChI | InChI=1S/3C69H45N5/c1-5-20-46(21-6-1)50-28-17-31-53(40-50)56-43-57(54-32-18-29-51(41-54)47-22-7-2-8-23-47)45-58(44-56)73-63-36-15-13-34-59(63)61-38-39-62-60-35-14-16-37-64(60)74(66(62)65(61)73)69-71-67(49-26-11-4-12-27-49)70-68(72-69)55-33-19-30-52(42-55)48-24-9-3-10-25-48;1-5-19-46(20-6-1)49-35-37-51(38-36-49)68-70-67(50-25-11-4-12-26-50)71-69(72-68)74-64-34-16-14-32-60(64)62-40-39-61-59-31-13-15-33-63(59)73(65(61)66(62)74)58-44-56(54-29-17-27-52(41-54)47-21-7-2-8-22-47)43-57(45-58)55-30-18-28-53(42-55)48-23-9-3-10-24-48;1-5-20-46(21-6-1)48-36-38-49(39-37-48)54-43-55(53-29-19-28-52(42-53)47-22-7-2-8-23-47)45-56(44-54)73-63-34-17-15-31-58(63)60-40-41-61-59-32-16-18-35-64(59)74(66(61)65(60)73)69-71-67(51-26-11-4-12-27-51)70-68(72-69)62-33-14-13-30-57(62)50-24-9-3-10-25-50/h3*1-45H |
| InChIKey | FFMPRSQSVFNBJG-UHFFFAOYSA-N |
| XLogP | 53.20 |
| TPSA | 145.59 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 222 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2832.46 |
| LogP ≤ 5 | 53.20 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |