C334H363N61O5S — CID 163638485
methane;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-5-[2-(4-methylphenyl)-3H-indol-5-yl]-3H-indole;2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methylpyrimidin-4-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;5-(2-propan-2-yl-3H-indol-5-yl)-2-[3-[5-[2-(4-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-3H-indol-2-yl]phenyl]-1H-benzimidazole;2-propan-2-yl-5-[6-(2-propan-2-yl-3H-indol-5-yl)-1H-benzimidazol-2-yl]benzene-1,4-diol;sulfur trioxide (PubChem CID 163638485) has the molecular formula C334H363N61O5S and a molecular weight of 5344.07 g/mol. Its IUPAC name is methane;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-5-[2-(4-methylphenyl)-3H-indol-5-yl]-3H-indole;2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methylpyrimidin-4-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;5-(2-propan-2-yl-3H-indol-5-yl)-2-[3-[5-[2-(4-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-3H-indol-2-yl]phenyl]-1H-benzimidazole;2-propan-2-yl-5-[6-(2-propan-2-yl-3H-indol-5-yl)-1H-benzimidazol-2-yl]benzene-1,4-diol;sulfur trioxide.
| Compound Name | methane;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-5-[2-(4-methylphenyl)-3H-indol-5-yl]-3H-indole;2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methylpyrimidin-4-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;5-(2-propan-2-yl-3H-indol-5-yl)-2-[3-[5-[2-(4-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-3H-indol-2-yl]phenyl]-1H-benzimidazole;2-propan-2-yl-5-[6-(2-propan-2-yl-3H-indol-5-yl)-1H-benzimidazol-2-yl]benzene-1,4-diol;sulfur trioxide |
|---|---|
| PubChem CID | 163638485 |
| Molecular Formula | C334H363N61O5S |
| Molecular Weight | 5344.07 g/mol |
| Exact Mass | 5339.97 |
| IUPAC Name | methane;2-[4-[5-(2-methyl-3H-benzimidazol-5-yl)-1H-benzimidazol-2-yl]phenyl]-6-[2-(5-methyl-2-pyridinyl)-1H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(3-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(4-methylphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-5-[2-(4-methylphenyl)-3H-indol-5-yl]-3H-indole;2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-3-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(6-methylpyrimidin-4-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;5-(2-propan-2-yl-3H-indol-5-yl)-2-[3-[5-[2-(4-propan-2-ylphenyl)-1H-benzimidazol-5-yl]-3H-indol-2-yl]phenyl]-1H-benzimidazole;2-propan-2-yl-5-[6-(2-propan-2-yl-3H-indol-5-yl)-1H-benzimidazol-2-yl]benzene-1,4-diol;sulfur trioxide |
| SMILES | C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1=Nc2ccc(-c3ccc4[nH]c(-c5cccc(C6=Nc7ccc(-c8ccc9[nH]c(-c%10ccc(C(C)C)cc%10)nc9c8)cc7C6)c5)nc4c3)cc2C1.CC(C)C1=Nc2ccc(-c3ccc4nc(-c5cc(O)c(C(C)C)cc5O)[nH]c4c3)cc2C1.CC1=Nc2ccc(-c3ccc4c(c3)CC(c3ccc(C)cc3)=N4)cc2C1.Cc1cc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)n[nH]1.Cc1cc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)ncn1.Cc1ccc(-c2nc3cc(-c4ccc5nc(-c6ccc(-c7nc8cc(-c9ccc%10nc(C)[nH]c%10c9)ccc8[nH]7)cc6)[nH]c5c4)ccc3[nH]2)nc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cc1.Cc1ccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)nc1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.Cc1cccc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)n1.Cc1cnc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cn1.Cc1cncc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)c1.O=S(=O)=O |
| InChI | InChI=1S/C48H40N6.C41H29N9.C27H27N3O2.C24H20N2.2C22H18N4.3C21H17N5.2C20H16N6.C19H16N6.28CH4.O3S/c1-27(2)29-8-10-30(11-9-29)47-51-41-18-14-33(23-45(41)53-47)32-13-17-40-38(21-32)26-44(50-40)35-6-5-7-36(22-35)48-52-42-19-15-34(24-46(42)54-48)31-12-16-39-37(20-31)25-43(49-39)28(3)4;1-22-3-12-34(42-21-22)41-47-33-16-11-29(20-38(33)50-41)28-10-15-32-37(19-28)49-40(46-32)25-6-4-24(5-7-25)39-45-31-14-9-27(18-36(31)48-39)26-8-13-30-35(17-26)44-23(2)43-30;1-14(2)19-12-26(32)20(13-25(19)31)27-29-22-8-6-17(10-24(22)30-27)16-5-7-21-18(9-16)11-23(28-21)15(3)4;1-15-3-5-17(6-4-15)24-14-21-13-19(8-10-23(21)26-24)18-7-9-22-20(12-18)11-16(2)25-22;1-13-3-5-15(6-4-13)22-25-19-10-8-17(12-21(19)26-22)16-7-9-18-20(11-16)24-14(2)23-18;1-13-4-3-5-17(10-13)22-25-19-9-7-16(12-21(19)26-22)15-6-8-18-20(11-15)24-14(2)23-18;1-12-3-6-18(22-11-12)21-25-17-8-5-15(10-20(17)26-21)14-4-7-16-19(9-14)24-13(2)23-16;1-12-7-16(11-22-10-12)21-25-18-6-4-15(9-20(18)26-21)14-3-5-17-19(8-14)24-13(2)23-17;1-12-4-3-5-18(22-12)21-25-17-9-7-15(11-20(17)26-21)14-6-8-16-19(10-14)24-13(2)23-16;1-11-9-22-19(10-21-11)20-25-16-6-4-14(8-18(16)26-20)13-3-5-15-17(7-13)24-12(2)23-15;1-11-7-19(22-10-21-11)20-25-16-6-4-14(9-18(16)26-20)13-3-5-15-17(8-13)24-12(2)23-15;1-10-7-18(25-24-10)19-22-15-6-4-13(9-17(15)23-19)12-3-5-14-16(8-12)21-11(2)20-14;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-4(2)3/h5-24,27-28H,25-26H2,1-4H3,(H,51,53)(H,52,54);3-21H,1-2H3,(H,43,44)(H,45,48)(H,46,49)(H,47,50);5-10,12-15,31-32H,11H2,1-4H3,(H,29,30);3-10,12-13H,11,14H2,1-2H3;2*3-12H,1-2H3,(H,23,24)(H,25,26);3*3-11H,1-2H3,(H,23,24)(H,25,26);2*3-10H,1-2H3,(H,23,24)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)(H,24,25);28*1H4; |
| InChIKey | ICFQYLKKJZALSX-UHFFFAOYSA-N |
| XLogP | 88.85 |
| TPSA | 944.91 Ų |
| H-Bond Donors | 26 |
| H-Bond Acceptors | 42 |
| Rotatable Bonds | 34 |
| Heavy Atoms | 401 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5344.07 |
| LogP ≤ 5 | 88.85 |
| H-Bond Donors ≤ 5 | 26 |
| H-Bond Acceptors ≤ 10 | 42 |