C184H250Cl5N10O30Re5-15 — CID 162286421
carbanide;N-[[4-[4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-3-oxobutyl]phenyl]methyl]cyclopentanecarboxamide;N-[7-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-6-oxoheptyl]cyclopentanecarboxamide;N-[2-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[11-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-10-oxoundecyl]cyclopentanecarboxamide;methanol;methanone;rhenium (PubChem CID 162286421) has the molecular formula C184H250Cl5N10O30Re5-15 and a molecular weight of 4190.36 g/mol. Its IUPAC name is carbanide;N-[[4-[4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-3-oxobutyl]phenyl]methyl]cyclopentanecarboxamide;N-[7-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-6-oxoheptyl]cyclopentanecarboxamide;N-[2-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[11-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-10-oxoundecyl]cyclopentanecarboxamide;methanol;methanone;rhenium.
| Compound Name | carbanide;N-[[4-[4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-3-oxobutyl]phenyl]methyl]cyclopentanecarboxamide;N-[7-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-6-oxoheptyl]cyclopentanecarboxamide;N-[2-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[11-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-10-oxoundecyl]cyclopentanecarboxamide;methanol;methanone;rhenium |
|---|---|
| PubChem CID | 162286421 |
| Molecular Formula | C184H250Cl5N10O30Re5-15 |
| Molecular Weight | 4190.36 g/mol |
| Exact Mass | 4189.47 |
| IUPAC Name | carbanide;N-[[4-[4-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-3-oxobutyl]phenyl]methyl]cyclopentanecarboxamide;N-[7-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-6-oxoheptyl]cyclopentanecarboxamide;N-[2-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[2-[2-[5-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-4-oxopentoxy]ethoxy]ethyl]cyclopentanecarboxamide;N-[11-[1-(4-chlorobenzoyl)-2,5-dimethylindol-3-yl]-10-oxoundecyl]cyclopentanecarboxamide;methanol;methanone;rhenium |
| SMILES | CO.CO.CO.CO.CO.Cc1ccc2c(c1)c(CC(=O)CCCCCCCCCNC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCCCCNC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCCOCCOCCNC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCCOCCOCCOCCNC(=O)C1CCCC1)c(C)n2C(=O)c1ccc(Cl)cc1.Cc1ccc2c(c1)c(CC(=O)CCc1ccc(CNC(=O)C3CCCC3)cc1)c(C)n2C(=O)c1ccc(Cl)cc1.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Re].[Re].[Re].[Re].[Re] |
| InChI | InChI=1S/C34H43ClN2O6.C34H35ClN2O3.C34H43ClN2O3.C32H39ClN2O5.C30H35ClN2O3.5CH4O.5CHO.10CH3.5Re/c1-24-9-14-32-31(22-24)30(25(2)37(32)34(40)27-10-12-28(35)13-11-27)23-29(38)8-5-16-41-18-20-43-21-19-42-17-15-36-33(39)26-6-3-4-7-26;1-22-7-18-32-31(19-22)30(23(2)37(32)34(40)27-13-15-28(35)16-14-27)20-29(38)17-12-24-8-10-25(11-9-24)21-36-33(39)26-5-3-4-6-26;1-24-15-20-32-31(22-24)30(25(2)37(32)34(40)27-16-18-28(35)19-17-27)23-29(38)14-8-6-4-3-5-7-11-21-36-33(39)26-12-9-10-13-26;1-22-9-14-30-29(20-22)28(23(2)35(30)32(38)25-10-12-26(33)13-11-25)21-27(36)8-5-16-39-18-19-40-17-15-34-31(37)24-6-3-4-7-24;1-20-11-16-28-27(18-20)26(21(2)33(28)30(36)23-12-14-24(31)15-13-23)19-25(34)10-4-3-7-17-32-29(35)22-8-5-6-9-22;10*1-2;;;;;;;;;;;;;;;/h9-14,22,26H,3-8,15-21,23H2,1-2H3,(H,36,39);7-11,13-16,18-19,26H,3-6,12,17,20-21H2,1-2H3,(H,36,39);15-20,22,26H,3-14,21,23H2,1-2H3,(H,36,39);9-14,20,24H,3-8,15-19,21H2,1-2H3,(H,34,37);11-16,18,22H,3-10,17,19H2,1-2H3,(H,32,35);5*2H,1H3;5*1H;10*1H3;;;;;/q;;;;;;;;;;15*-1;;;;; |
| InChIKey | ONJWNGOMDKXNEA-UHFFFAOYSA-N |
| XLogP | 34.71 |
| TPSA | 573.50 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 234 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4190.36 |
| LogP ≤ 5 | 34.71 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 35 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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