C118H100Ag2Au2P4+4 — CID 164978762
disilver;bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(4-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) (PubChem CID 164978762) has the molecular formula C118H100Ag2Au2P4+4 and a molecular weight of 2251.66 g/mol. Its IUPAC name is disilver;bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(4-ethynyl-9,9-dimethylfluorene);bis(gold(1+)).
| Compound Name | disilver;bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(4-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) |
|---|---|
| PubChem CID | 164978762 |
| Molecular Formula | C118H100Ag2Au2P4+4 |
| Molecular Weight | 2251.66 g/mol |
| Exact Mass | 2248.42 |
| IUPAC Name | disilver;bis(diphenylphosphaniumylmethyl(diphenyl)phosphanium);2-ethynyl-9,9-dimethylfluorene;3-ethynyl-9,9-dimethylfluorene;bis(4-ethynyl-9,9-dimethylfluorene);bis(gold(1+)) |
| SMILES | [Ag+].[Ag+].[Au+].[Au+].[C-]#Cc1ccc2c(c1)-c1ccccc1C2(C)C.[C-]#Cc1ccc2c(c1)C(C)(C)c1ccccc1-2.[C-]#Cc1cccc2c1-c1ccccc1C2(C)C.[C-]#Cc1cccc2c1-c1ccccc1C2(C)C.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](C[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/2C25H22P2.4C17H13.2Ag.2Au/c2*1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25;2*1-4-12-8-7-11-15-16(12)13-9-5-6-10-14(13)17(15,2)3;1-4-12-9-10-16-14(11-12)13-7-5-6-8-15(13)17(16,2)3;1-4-12-9-10-14-13-7-5-6-8-15(13)17(2,3)16(14)11-12;;;;/h2*1-20H,21H2;4*5-11H,2-3H3;;;;/q;;4*-1;4*+1/p+4 |
| InChIKey | VJZUQTHZZIZENO-UHFFFAOYSA-R |
| XLogP | 25.06 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 12 |
| Heavy Atoms | 126 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2251.66 |
| LogP ≤ 5 | 25.06 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
|---|