C156H90N30S6 — CID 157061883
2-[3-[3,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine (PubChem CID 157061883) has the molecular formula C156H90N30S6 and a molecular weight of 2577.05 g/mol. Its IUPAC name is 2-[3-[3,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine.
| Compound Name | 2-[3-[3,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine |
|---|---|
| PubChem CID | 157061883 |
| Molecular Formula | C156H90N30S6 |
| Molecular Weight | 2577.05 g/mol |
| Exact Mass | 2574.63 |
| IUPAC Name | 2-[3-[3,5-bis[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]phenyl]-5-(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine |
| SMILES | c1ccc(-n2c(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)cc(-c5cc(-c6nc7cccnc7n6-c6ccccc6)cc(-c6nc7cccnc7n6-c6ccccc6)c5)c4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1.c1cnc2sc(-c3cc(-c4cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)cc(-c5cc(-c6nc7cccnc7s6)cc(-c6nc7cccnc7s6)c5)c4)cc(-c4nc5cccnc5s4)c3)nc2c1 |
| InChI | InChI=1S/C96H60N18.C60H30N12S6/c1-7-25-73(26-8-1)109-85(103-79-37-19-43-97-91(79)109)67-52-64(53-68(58-67)86-104-80-38-20-44-98-92(80)110(86)74-27-9-2-10-28-74)61-49-62(65-54-69(87-105-81-39-21-45-99-93(81)111(87)75-29-11-3-12-30-75)59-70(55-65)88-106-82-40-22-46-100-94(82)112(88)76-31-13-4-14-32-76)51-63(50-61)66-56-71(89-107-83-41-23-47-101-95(83)113(89)77-33-15-5-16-34-77)60-72(57-66)90-108-84-42-24-48-102-96(84)114(90)78-35-17-6-18-36-78;1-7-43-55(61-13-1)73-49(67-43)37-22-34(23-38(28-37)50-68-44-8-2-14-62-56(44)74-50)31-19-32(35-24-39(51-69-45-9-3-15-63-57(45)75-51)29-40(25-35)52-70-46-10-4-16-64-58(46)76-52)21-33(20-31)36-26-41(53-71-47-11-5-17-65-59(47)77-53)30-42(27-36)54-72-48-12-6-18-66-60(48)78-54/h1-60H;1-30H |
| InChIKey | ABKQXPNTRKOCGK-UHFFFAOYSA-N |
| XLogP | 37.81 |
| TPSA | 338.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2577.05 |
| LogP ≤ 5 | 37.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 36 |