C210H142N18 — CID 161378320
2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole (PubChem CID 161378320) has the molecular formula C210H142N18 and a molecular weight of 2917.57 g/mol. Its IUPAC name is 2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole.
| Compound Name | 2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole |
|---|---|
| PubChem CID | 161378320 |
| Molecular Formula | C210H142N18 |
| Molecular Weight | 2917.57 g/mol |
| Exact Mass | 2915.17 |
| IUPAC Name | 2-[4-[3-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]phenyl]benzimidazole;1-phenyl-2-[4-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenyl]benzimidazole |
| SMILES | c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4cc(-c5ccccc5)nc(-c5cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c5)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5cccc(-c6ccc(-c7nc8ccccc8n7-c7ccccc7)cc6)c5)n4)c3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cccc(-c5ccc(-c6nc7ccccc7n6-c6ccccc6)cc5)c4)n3)cc2)cc1 |
| InChI | InChI=1S/2C53H36N4.2C52H35N5/c1-4-14-37(15-5-1)38-26-28-39(29-27-38)43-18-12-20-45(34-43)50-36-49(41-16-6-2-7-17-41)54-52(55-50)46-21-13-19-44(35-46)40-30-32-42(33-31-40)53-56-48-24-10-11-25-51(48)57(53)47-22-8-3-9-23-47;1-4-13-37(14-5-1)39-23-29-42(30-24-39)49-36-50(43-31-25-40(26-32-43)38-15-6-2-7-16-38)55-52(54-49)46-18-12-17-45(35-46)41-27-33-44(34-28-41)53-56-48-21-10-11-22-51(48)57(53)47-19-8-3-9-20-47;1-4-14-36(15-5-1)37-26-28-38(29-27-37)42-18-12-20-44(34-42)50-54-49(40-16-6-2-7-17-40)55-51(56-50)45-21-13-19-43(35-45)39-30-32-41(33-31-39)52-53-47-24-10-11-25-48(47)57(52)46-22-8-3-9-23-46;1-4-13-36(14-5-1)38-23-29-41(30-24-38)49-54-50(42-31-25-39(26-32-42)37-15-6-2-7-16-37)56-51(55-49)45-18-12-17-44(35-45)40-27-33-43(34-28-40)52-53-47-21-10-11-22-48(47)57(52)46-19-8-3-9-20-46/h2*1-36H;2*1-35H |
| InChIKey | VRJJRNCFBBYIDN-UHFFFAOYSA-N |
| XLogP | 52.73 |
| TPSA | 200.18 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 228 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2917.57 |
| LogP ≤ 5 | 52.73 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |