C141H93N15 — CID 164947595
11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole (PubChem CID 164947595) has the molecular formula C141H93N15 and a molecular weight of 1997.40 g/mol. Its IUPAC name is 11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole.
| Compound Name | 11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole |
|---|---|
| PubChem CID | 164947595 |
| Molecular Formula | C141H93N15 |
| Molecular Weight | 1997.40 g/mol |
| Exact Mass | 1995.77 |
| IUPAC Name | 11-phenyl-10-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole;11-phenyl-10-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]indolo[1,2-a]benzimidazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-n5c6ccccc6n6c7ccccc7c(-c7ccccc7)c56)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6n6c7ccccc7c(-c7ccccc7)c56)c4)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6n6c7ccccc7c(-c7ccccc7)c56)c4)n3)c2)cc1 |
| InChI | InChI=1S/3C47H31N5/c1-4-16-32(17-5-1)35-22-14-23-36(30-35)45-48-44(34-20-8-3-9-21-34)49-46(50-45)37-24-15-25-38(31-37)51-41-28-12-13-29-42(41)52-40-27-11-10-26-39(40)43(47(51)52)33-18-6-2-7-19-33;1-4-15-32(16-5-1)33-27-29-36(30-28-33)45-48-44(35-19-8-3-9-20-35)49-46(50-45)37-21-14-22-38(31-37)51-41-25-12-13-26-42(41)52-40-24-11-10-23-39(40)43(47(51)52)34-17-6-2-7-18-34;1-4-14-32(15-5-1)33-24-26-36(27-25-33)45-48-44(35-18-8-3-9-19-35)49-46(50-45)37-28-30-38(31-29-37)51-41-22-12-13-23-42(41)52-40-21-11-10-20-39(40)43(47(51)52)34-16-6-2-7-17-34/h3*1-31H |
| InChIKey | ACBHXLVFJNTEEH-UHFFFAOYSA-N |
| XLogP | 34.67 |
| TPSA | 144.03 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 156 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1997.40 |
| LogP ≤ 5 | 34.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |