C95H96Ar6Cl4N2O2P2Ru2-6 — CID 161129880
argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) (PubChem CID 161129880) has the molecular formula C95H96Ar6Cl4N2O2P2Ru2-6 and a molecular weight of 1943.41 g/mol. Its IUPAC name is argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene).
| Compound Name | argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) |
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| PubChem CID | 161129880 |
| Molecular Formula | C95H96Ar6Cl4N2O2P2Ru2-6 |
| Molecular Weight | 1943.41 g/mol |
| Exact Mass | 1942.16 |
| IUPAC Name | argon;bis(dichlororuthenium);[(2R)-1,2-diphenylpropyl]azanide;[(2S)-2-methanidyl-1,1-bis(4-methoxyphenyl)-3-methylbutyl]azanide;bis([1-(2-methanidylnaphthalen-1-yl)naphthalen-2-yl]phosphane);bis(1,3,5-trimethylbenzene) |
| SMILES | Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cl[Ru]Cl.Cl[Ru]Cl.[Ar].[Ar].[Ar].[Ar].[Ar].[Ar].[CH2-][C@@H](C(C)C)C([NH-])(c1ccc(OC)cc1)c1ccc(OC)cc1.[CH2-][C@H](c1ccccc1)C([NH-])c1ccccc1.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12.[CH2-]c1ccc2ccccc2c1-c1c(P)ccc2ccccc12 |
| InChI | InChI=1S/2C21H16P.C20H25NO2.C15H15N.2C9H12.6Ar.4ClH.2Ru/c2*1-14-10-11-15-6-2-4-8-17(15)20(14)21-18-9-5-3-7-16(18)12-13-19(21)22;1-14(2)15(3)20(21,16-6-10-18(22-4)11-7-16)17-8-12-19(23-5)13-9-17;1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14;2*1-7-4-8(2)6-9(3)5-7;;;;;;;;;;;;/h2*2-13H,1,22H2;6-15,21H,3H2,1-2,4-5H3;2-12,15-16H,1H2;2*4-6H,1-3H3;;;;;;;4*1H;;/q2*-1;2*-2;;;;;;;;;;;;;2*+2/p-4/t;;15-;12-,15?;;;;;;;;;;;;;;/m..01............../s1 |
| InChIKey | QBKVPEUUHOCMOK-HAKKKGIESA-J |
| XLogP | 28.17 |
| TPSA | 66.06 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 113 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1943.41 |
| LogP ≤ 5 | 28.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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