C173H202O31P6 — CID 159910691
2-bis(2,6-dimethoxyphenyl)phosphanyl-8-tert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-6-tert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,8-ditert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,6-ditert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanylnaphthalen-1-ol;2-tert-butyl-6-[(2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanyl]phenol (PubChem CID 159910691) has the molecular formula C173H202O31P6 and a molecular weight of 2963.33 g/mol. Its IUPAC name is 2-bis(2,6-dimethoxyphenyl)phosphanyl-8-tert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-6-tert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,8-ditert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,6-ditert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanylnaphthalen-1-ol;2-tert-butyl-6-[(2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanyl]phenol.
| Compound Name | 2-bis(2,6-dimethoxyphenyl)phosphanyl-8-tert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-6-tert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,8-ditert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,6-ditert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanylnaphthalen-1-ol;2-tert-butyl-6-[(2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanyl]phenol |
|---|---|
| PubChem CID | 159910691 |
| Molecular Formula | C173H202O31P6 |
| Molecular Weight | 2963.33 g/mol |
| Exact Mass | 2961.27 |
| IUPAC Name | 2-bis(2,6-dimethoxyphenyl)phosphanyl-8-tert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-6-tert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,8-ditert-butylnaphthalen-1-ol;2-bis(2,6-dimethoxyphenyl)phosphanyl-4,6-ditert-butylphenol;2-bis(2,6-dimethoxyphenyl)phosphanylnaphthalen-1-ol;2-tert-butyl-6-[(2,6-dimethoxyphenyl)-(2,4,6-trimethoxyphenyl)phosphanyl]phenol |
| SMILES | COc1cc(OC)c(P(c2cccc(C(C)(C)C)c2O)c2c(OC)cccc2OC)c(OC)c1.COc1cccc(OC)c1P(c1cc(C(C)(C)C)c2cccc(C(C)(C)C)c2c1O)c1c(OC)cccc1OC.COc1cccc(OC)c1P(c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)c1c(OC)cccc1OC.COc1cccc(OC)c1P(c1ccc2cccc(C(C)(C)C)c2c1O)c1c(OC)cccc1OC.COc1cccc(OC)c1P(c1ccc2ccccc2c1O)c1c(OC)cccc1OC.COc1cccc(OC)c1P(c1cccc(C(C)(C)C)c1O)c1c(OC)cccc1OC |
| InChI | InChI=1S/C34H41O5P.C30H33O5P.C30H39O5P.C27H33O6P.C26H25O5P.C26H31O5P/c1-33(2,3)22-15-11-14-21-23(34(4,5)6)20-28(30(35)29(21)22)40(31-24(36-7)16-12-17-25(31)37-8)32-26(38-9)18-13-19-27(32)39-10;1-30(2,3)20-12-8-11-19-17-18-25(27(31)26(19)20)36(28-21(32-4)13-9-14-22(28)33-5)29-23(34-6)15-10-16-24(29)35-7;1-29(2,3)19-17-20(30(4,5)6)26(31)25(18-19)36(27-21(32-7)13-11-14-22(27)33-8)28-23(34-9)15-12-16-24(28)35-10;1-27(2,3)18-11-9-14-23(24(18)28)34(25-19(30-5)12-10-13-20(25)31-6)26-21(32-7)15-17(29-4)16-22(26)33-8;1-28-19-11-7-12-20(29-2)25(19)32(26-21(30-3)13-8-14-22(26)31-4)23-16-15-17-9-5-6-10-18(17)24(23)27;1-26(2,3)17-11-8-16-22(23(17)27)32(24-18(28-4)12-9-13-19(24)29-5)25-20(30-6)14-10-15-21(25)31-7/h11-20,35H,1-10H3;8-18,31H,1-7H3;11-18,31H,1-10H3;9-16,28H,1-8H3;5-16,27H,1-4H3;8-16,27H,1-7H3 |
| InChIKey | NXDPBTLGQNTJGF-UHFFFAOYSA-N |
| XLogP | 31.66 |
| TPSA | 352.13 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 210 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2963.33 |
| LogP ≤ 5 | 31.66 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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