C118H166N5O10P5 — CID 159295518
[5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane (PubChem CID 159295518) has the molecular formula C118H166N5O10P5 and a molecular weight of 1969.52 g/mol. Its IUPAC name is [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane.
| Compound Name | [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane |
|---|---|
| PubChem CID | 159295518 |
| Molecular Formula | C118H166N5O10P5 |
| Molecular Weight | 1969.52 g/mol |
| Exact Mass | 1968.13 |
| IUPAC Name | [5-tert-butyl-2-(methoxymethoxy)-3-methylphenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-[2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-3-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)-5-methylphenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane;[2-(methoxymethoxy)phenyl]-[4-methyl-2-(piperidin-1-ylmethyl)phenyl]phosphane |
| SMILES | COCOc1c(C)cc(C(C)(C)C)cc1Pc1ccccc1CN1CCCCC1.COCOc1c(C)cccc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1c(Pc2ccccc2CN2CCCCC2)cc(C(C)(C)C)cc1C(C)(C)C.COCOc1ccc(C)cc1Pc1ccc(C)cc1CN1CCCCC1.COCOc1ccccc1Pc1ccc(C)cc1CN1CCCCC1 |
| InChI | InChI=1S/C28H42NO2P.C25H36NO2P.2C22H30NO2P.C21H28NO2P/c1-27(2,3)22-17-23(28(4,5)6)26(31-20-30-7)25(18-22)32-24-14-10-9-13-21(24)19-29-15-11-8-12-16-29;1-19-15-21(25(2,3)4)16-23(24(19)28-18-27-5)29-22-12-8-7-11-20(22)17-26-13-9-6-10-14-26;1-17-8-10-21(19(13-17)15-23-11-5-4-6-12-23)26-22-14-18(2)7-9-20(22)25-16-24-3;1-17-10-11-20(19(14-17)15-23-12-5-4-6-13-23)26-21-9-7-8-18(2)22(21)25-16-24-3;1-17-10-11-20(18(14-17)15-22-12-6-3-7-13-22)25-21-9-5-4-8-19(21)24-16-23-2/h9-10,13-14,17-18,32H,8,11-12,15-16,19-20H2,1-7H3;7-8,11-12,15-16,29H,6,9-10,13-14,17-18H2,1-5H3;7-10,13-14,26H,4-6,11-12,15-16H2,1-3H3;7-11,14,26H,4-6,12-13,15-16H2,1-3H3;4-5,8-11,14,25H,3,6-7,12-13,15-16H2,1-2H3 |
| InChIKey | LAQYKGYUOYBAHO-UHFFFAOYSA-N |
| XLogP | 22.17 |
| TPSA | 108.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 138 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1969.52 |
| LogP ≤ 5 | 22.17 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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