C192H202N26O10 — CID 158922570
5-N-[2-(diaminomethylideneamino)ethyl]-2-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-6-yl]-5-N-methyl-1H-indole-2,5-dicarboxamide;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N'-methylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine (PubChem CID 158922570) has the molecular formula C192H202N26O10 and a molecular weight of 3033.90 g/mol. Its IUPAC name is 5-N-[2-(diaminomethylideneamino)ethyl]-2-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-6-yl]-5-N-methyl-1H-indole-2,5-dicarboxamide;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N'-methylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine.
| Compound Name | 5-N-[2-(diaminomethylideneamino)ethyl]-2-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-6-yl]-5-N-methyl-1H-indole-2,5-dicarboxamide;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N'-methylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine |
|---|---|
| PubChem CID | 158922570 |
| Molecular Formula | C192H202N26O10 |
| Molecular Weight | 3033.90 g/mol |
| Exact Mass | 3031.61 |
| IUPAC Name | 5-N-[2-(diaminomethylideneamino)ethyl]-2-N-[2-[2-(diaminomethylideneamino)ethylcarbamoyl]-1H-indol-6-yl]-5-N-methyl-1H-indole-2,5-dicarboxamide;ethyl 5-acetyl-1H-indole-2-carboxylate;ethyl 5-[methyl-[2-(tritylamino)ethyl]carbamoyl]-1H-indole-2-carboxylate;N'-methyl-N,N'-ditritylethane-1,2-diamine;N'-methylethane-1,2-diamine;N-methyl-N-[2-(tritylamino)ethyl]-1H-indole-5-carboxamide;N-methyl-N'-tritylethane-1,2-diamine;N'-methyl-N'-tritylethane-1,2-diamine |
| SMILES | CCOC(=O)c1cc2cc(C(=O)N(C)CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2[nH]1.CCOC(=O)c1cc2cc(C(C)=O)ccc2[nH]1.CN(CCN)C(c1ccccc1)(c1ccccc1)c1ccccc1.CN(CCN=C(N)N)C(=O)c1ccc2[nH]c(C(=O)Nc3ccc4cc(C(=O)NCCN=C(N)N)[nH]c4c3)cc2c1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccc2[nH]ccc2c1.CN(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.CNCCN.CNCCNC(c1ccccc1)(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C41H38N2.C34H33N3O3.C31H29N3O.C26H31N11O3.2C22H24N2.C13H13NO3.C3H10N2/c1-43(41(37-26-14-5-15-27-37,38-28-16-6-17-29-38)39-30-18-7-19-31-39)33-32-42-40(34-20-8-2-9-21-34,35-22-10-3-11-23-35)36-24-12-4-13-25-36;1-3-40-33(39)31-24-26-23-25(19-20-30(26)36-31)32(38)37(2)22-21-35-34(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;1-34(30(35)25-17-18-29-24(23-25)19-20-32-29)22-21-33-31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28;1-37(9-8-33-26(29)30)24(40)15-3-5-18-16(10-15)12-21(35-18)23(39)34-17-4-2-14-11-20(36-19(14)13-17)22(38)31-6-7-32-25(27)28;1-24(18-17-23)22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-23-17-18-24-22(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;1-3-17-13(16)12-7-10-6-9(8(2)15)4-5-11(10)14-12;1-5-3-2-4/h2-31,42H,32-33H2,1H3;4-20,23-24,35-36H,3,21-22H2,1-2H3;2-20,23,32-33H,21-22H2,1H3;2-5,10-13,35-36H,6-9H2,1H3,(H,31,38)(H,34,39)(H4,27,28,32)(H4,29,30,33);2-16H,17-18,23H2,1H3;2-16,23-24H,17-18H2,1H3;4-7,14H,3H2,1-2H3;5H,2-4H2,1H3 |
| InChIKey | JIAGGLXKJMUOBU-UHFFFAOYSA-N |
| XLogP | 29.93 |
| TPSA | 527.25 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 57 |
| Heavy Atoms | 228 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3033.90 |
| LogP ≤ 5 | 29.93 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'} |
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