C267H186N48 — CID 161035576
2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole;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(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyrazine;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-phenyl-2-[2,4,6-trimethyl-3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole (PubChem CID 161035576) has the molecular formula C267H186N48 and a molecular weight of 4066.76 g/mol. Its IUPAC name is 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole;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(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyrazine;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-phenyl-2-[2,4,6-trimethyl-3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole.
| Compound Name | 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole;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(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyrazine;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-phenyl-2-[2,4,6-trimethyl-3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole |
|---|---|
| PubChem CID | 161035576 |
| Molecular Formula | C267H186N48 |
| Molecular Weight | 4066.76 g/mol |
| Exact Mass | 4063.60 |
| IUPAC Name | 2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole;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(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole;2-[3,5-bis(3-phenylimidazo[4,5-b]pyrazin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyrazine;2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-phenylimidazo[4,5-b]pyridine;1-phenyl-2-[2,4,6-trimethyl-3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole |
| SMILES | Cc1c(-c2nc3ccccc3n2-c2ccccc2)c(C)c(-c2nc3ccccc3n2-c2ccccc2)c(C)c1-c1nc2ccccc2n1-c1ccccc1.Cc1ccccc1-n1c(-c2cc(-c3nc4ccccc4n3-c3ccccc3C)cc(-c3nc4ccccc4n3-c3ccccc3C)c2)nc2ccccc21.Cc1ccccc1-n1c(-c2cc(-c3nc4cccnc4n3-c3ccccc3C)cc(-c3nc4cccnc4n3-c3ccccc3C)c2)nc2cccnc21.c1ccc(-n2c(-c3cc(-c4nc5ccccc5n4-c4ccccc4)cc(-c4nc5ccccc5n4-c4ccccc4)c3)nc3ccccc32)cc1.c1ccc(-n2c(-c3cc(-c4nc5cccnc5n4-c4ccccc4)cc(-c4nc5cccnc5n4-c4ccccc4)c3)nc3cccnc32)cc1.c1ccc(-n2c(-c3cc(-c4nc5nccnc5n4-c4ccccc4)cc(-c4nc5nccnc5n4-c4ccccc4)c3)nc3nccnc32)cc1 |
| InChI | InChI=1S/2C48H36N6.C45H33N9.C45H30N6.C42H27N9.C39H24N12/c1-31-16-4-10-22-40(31)52-43-25-13-7-19-37(43)49-46(52)34-28-35(47-50-38-20-8-14-26-44(38)53(47)41-23-11-5-17-32(41)2)30-36(29-34)48-51-39-21-9-15-27-45(39)54(48)42-24-12-6-18-33(42)3;1-31-43(46-49-37-25-13-16-28-40(37)52(46)34-19-7-4-8-20-34)32(2)45(48-51-39-27-15-18-30-42(39)54(48)36-23-11-6-12-24-36)33(3)44(31)47-50-38-26-14-17-29-41(38)53(47)35-21-9-5-10-22-35;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;1-4-16-34(17-5-1)49-40-25-13-10-22-37(40)46-43(49)31-28-32(44-47-38-23-11-14-26-41(38)50(44)35-18-6-2-7-19-35)30-33(29-31)45-48-39-24-12-15-27-42(39)51(45)36-20-8-3-9-21-36;1-4-13-31(14-5-1)49-37(46-34-19-10-22-43-40(34)49)28-25-29(38-47-35-20-11-23-44-41(35)50(38)32-15-6-2-7-16-32)27-30(26-28)39-48-36-21-12-24-45-42(36)51(39)33-17-8-3-9-18-33;1-4-10-28(11-5-1)49-34(46-31-37(49)43-19-16-40-31)25-22-26(35-47-32-38(44-20-17-41-32)50(35)29-12-6-2-7-13-29)24-27(23-25)36-48-33-39(45-21-18-42-33)51(36)30-14-8-3-9-15-30/h2*4-30H,1-3H3;4-27H,1-3H3;1-30H;1-27H;1-24H |
| InChIKey | UAFBHDIXXLZGKQ-UHFFFAOYSA-N |
| XLogP | 59.74 |
| TPSA | 475.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 315 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4066.76 |
| LogP ≤ 5 | 59.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 48 |