C159H105N27 — CID 159563284
2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-naphthalen-1-ylimidazo[4,5-b]pyridine;2-[3,5-bis[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine (PubChem CID 159563284) has the molecular formula C159H105N27 and a molecular weight of 2393.78 g/mol. Its IUPAC name is 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-naphthalen-1-ylimidazo[4,5-b]pyridine;2-[3,5-bis[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine.
| Compound Name | 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-naphthalen-1-ylimidazo[4,5-b]pyridine;2-[3,5-bis[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine |
|---|---|
| PubChem CID | 159563284 |
| Molecular Formula | C159H105N27 |
| Molecular Weight | 2393.78 g/mol |
| Exact Mass | 2391.90 |
| IUPAC Name | 2-[3,5-bis[3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-methylphenyl)imidazo[4,5-b]pyridine;2-[3,5-bis(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-naphthalen-1-ylimidazo[4,5-b]pyridine;2-[3,5-bis[3-(2-phenylphenyl)imidazo[4,5-b]pyridin-2-yl]phenyl]-3-(2-phenylphenyl)imidazo[4,5-b]pyridine |
| SMILES | Cc1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C)cc(-c3nc4cccnc4n3-c3ccccc3C)c2)nc2cccnc21.c1ccc(-c2ccccc2-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4-c4ccccc4)c3)nc3cccnc32)cc1.c1ccc2c(-n3c(-c4cc(-c5nc6cccnc6n5-c5cccc6ccccc56)cc(-c5nc6cccnc6n5-c5cccc6ccccc56)c4)nc4cccnc43)cccc2c1 |
| InChI | InChI=1S/C60H39N9.C54H33N9.C45H33N9/c1-4-19-40(20-5-1)46-25-10-13-31-52(46)67-55(64-49-28-16-34-61-58(49)67)43-37-44(56-65-50-29-17-35-62-59(50)68(56)53-32-14-11-26-47(53)41-21-6-2-7-22-41)39-45(38-43)57-66-51-30-18-36-63-60(51)69(57)54-33-15-12-27-48(54)42-23-8-3-9-24-42;1-4-19-40-34(13-1)16-7-25-46(40)61-49(58-43-22-10-28-55-52(43)61)37-31-38(50-59-44-23-11-29-56-53(44)62(50)47-26-8-17-35-14-2-5-20-41(35)47)33-39(32-37)51-60-45-24-12-30-57-54(45)63(51)48-27-9-18-36-15-3-6-21-42(36)48;1-28-13-4-7-19-37(28)52-40(49-34-16-10-22-46-43(34)52)31-25-32(41-50-35-17-11-23-47-44(35)53(41)38-20-8-5-14-29(38)2)27-33(26-31)42-51-36-18-12-24-48-45(36)54(42)39-21-9-6-15-30(39)3/h1-39H;1-33H;4-27H,1-3H3 |
| InChIKey | MGWTZCAXXQTBBO-UHFFFAOYSA-N |
| XLogP | 36.05 |
| TPSA | 276.39 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 186 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2393.78 |
| LogP ≤ 5 | 36.05 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 27 |