Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
C134H182N2O2P6 — CID 158955805
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACtert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
SMILESCC(C)(C)P(c1cccc2ccccc12)C(C)(C)C.CCP(c1ccccc1-c1ccccc1)C(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.COc1ccc(-c2ccccc2P(C2CCCCC2)C(C)(C)C)cc1.COc1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C26H36NP.C25H33OP.C24H34NP.C23H31OP.C18H25P.C18H23P/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-26-21-18-16-20(17-19-21)24-14-8-9-15-25(24)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-24(2,3)26(19-13-7-6-8-14-19)23-18-12-10-16-21(23)20-15-9-11-17-22(20)25(4)5;1-23(2,3)25(20-10-6-5-7-11-20)22-13-9-8-12-21(22)18-14-16-19(24-4)17-15-18;1-17(2,3)19(18(4,5)6)16-13-9-11-14-10-7-8-12-15(14)16;1-5-19(18(2,3)4)17-14-10-9-13-16(17)15-11-7-6-8-12-15/h9-12,17-22H,3-8,13-16H2,1-2H3;8-9,14-19,22-23H,2-7,10-13H2,1H3;9-12,15-19H,6-8,13-14H2,1-5H3;8-9,12-17,20H,5-7,10-11H2,1-4H3;7-13H,1-6H3;6-14H,5H2,1-4H3
InChIKeyJLZJOGHBZANIKU-UHFFFAOYSA-N
MW2038.79 g/mol
LogP38.41
Rot. Bonds22
About Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline
Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline (PubChem CID 158955805) has the molecular formula C134H182N2O2P6 and a molecular weight of 2038.79 g/mol. Its IUPAC name is tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline.
Molecular Properties
| Compound Name | Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline |
|---|---|
| PubChem CID | 158955805 |
| Molecular Formula | C134H182N2O2P6 |
| Molecular Weight | 2038.79 g/mol |
| Exact Mass | 2037.26 |
| IUPAC Name | tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline |
| SMILES | CC(C)(C)P(c1cccc2ccccc12)C(C)(C)C.CCP(c1ccccc1-c1ccccc1)C(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.COc1ccc(-c2ccccc2P(C2CCCCC2)C(C)(C)C)cc1.COc1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1 |
| InChI | InChI=1S/C26H36NP.C25H33OP.C24H34NP.C23H31OP.C18H25P.C18H23P/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-26-21-18-16-20(17-19-21)24-14-8-9-15-25(24)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-24(2,3)26(19-13-7-6-8-14-19)23-18-12-10-16-21(23)20-15-9-11-17-22(20)25(4)5;1-23(2,3)25(20-10-6-5-7-11-20)22-13-9-8-12-21(22)18-14-16-19(24-4)17-15-18;1-17(2,3)19(18(4,5)6)16-13-9-11-14-10-7-8-12-15(14)16;1-5-19(18(2,3)4)17-14-10-9-13-16(17)15-11-7-6-8-12-15/h9-12,17-22H,3-8,13-16H2,1-2H3;8-9,14-19,22-23H,2-7,10-13H2,1H3;9-12,15-19H,6-8,13-14H2,1-5H3;8-9,12-17,20H,5-7,10-11H2,1-4H3;7-13H,1-6H3;6-14H,5H2,1-4H3 |
| InChIKey | JLZJOGHBZANIKU-UHFFFAOYSA-N |
| XLogP | 38.41 |
| TPSA | 24.94 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 144 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2038.79 |
| LogP ≤ 5 | 38.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'phosphor', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
The IUPAC name of Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline (CID 158955805) is tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline.
What is the SMILES notation for Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
The canonical SMILES for Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline is CC(C)(C)P(c1cccc2ccccc12)C(C)(C)C.CCP(c1ccccc1-c1ccccc1)C(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.COc1ccc(-c2ccccc2P(C2CCCCC2)C(C)(C)C)cc1.COc1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
The InChIKey is JLZJOGHBZANIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36NP.C25H33OP.C24H34NP.C23H31OP.C18H25P.C18H23P/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-26-21-18-16-20(17-19-21)24-14-8-9-15-25(24)27(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-24(2,3)26(19-13-7-6-8-14-19)23-18-12-10-16-21(23)20-15-9-11-17-22(20)25(4)5;1-23(2,3)25(20-10-6-5-7-11-20)22-13-9-8-12-21(22)18-14-16-19(24-4)17-15-18;1-17(2,3)19(18(4,5)6)16-13-9-11-14-10-7-8-12-15(14)16;1-5-19(18(2,3)4)17-14-10-9-13-16(17)15-11-7-6-8-12-15/h9-12,17-22H,3-8,13-16H2,1-2H3;8-9,14-19,22-23H,2-7,10-13H2,1H3;9-12,15-19H,6-8,13-14H2,1-5H3;8-9,12-17,20H,5-7,10-11H2,1-4H3;7-13H,1-6H3;6-14H,5H2,1-4H3.
What are the key properties of Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline?
Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline has a molecular weight of 2038.79 g/mol, XLogP of 38.41, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl-cyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-[2-[tert-butyl(cyclohexyl)phosphanyl]phenyl]-N,N-dimethylaniline;tert-butyl-ethyl-(2-phenylphenyl)phosphane;ditert-butyl(naphthalen-1-yl)phosphane;dicyclohexyl-[2-(4-methoxyphenyl)phenyl]phosphane;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline is sourced from PubChem (CID 158955805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158955805 — identifiers, structure, computed properties (public domain)
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