C150H204Cl2N12P4Si2 — CID 158575549
[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-chlorosilyl]-chlorosilane;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanyl]phosphane;[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]-[[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]phosphanyl]phosphane (PubChem CID 158575549) has the molecular formula C150H204Cl2N12P4Si2 and a molecular weight of 2426.34 g/mol. Its IUPAC name is [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-chlorosilyl]-chlorosilane;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanyl]phosphane;[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]-[[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]phosphanyl]phosphane.
| Compound Name | [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-chlorosilyl]-chlorosilane;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanyl]phosphane;[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]-[[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]phosphanyl]phosphane |
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| PubChem CID | 158575549 |
| Molecular Formula | C150H204Cl2N12P4Si2 |
| Molecular Weight | 2426.34 g/mol |
| Exact Mass | 2423.42 |
| IUPAC Name | [1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-chlorosilyl]-chlorosilane;[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]-[[1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-yl]phosphanyl]phosphane;[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]-[[1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-yl]phosphanyl]phosphane |
| SMILES | CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1PPC1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)C1[SiH](Cl)[SiH](Cl)C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(C(C)C)cccc1C(C)C.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2PPC2N(c3c(C)cc(C)cc3C)C=CN2c2c(C)cc(C)cc2C)c(C)c1 |
| InChI | InChI=1S/C54H76Cl2N4Si2.C54H76N4P2.C42H52N4P2/c1-33(2)41-21-17-22-42(34(3)4)49(41)57-29-30-58(50-43(35(5)6)23-18-24-44(50)36(7)8)53(57)61(55)62(56)54-59(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-60(54)52-47(39(13)14)27-20-28-48(52)40(15)16;1-33(2)41-21-17-22-42(34(3)4)49(41)55-29-30-56(50-43(35(5)6)23-18-24-44(50)36(7)8)53(55)59-60-54-57(51-45(37(9)10)25-19-26-46(51)38(11)12)31-32-58(54)52-47(39(13)14)27-20-28-48(52)40(15)16;1-25-17-29(5)37(30(6)18-25)43-13-14-44(38-31(7)19-26(2)20-32(38)8)41(43)47-48-42-45(39-33(9)21-27(3)22-34(39)10)15-16-46(42)40-35(11)23-28(4)24-36(40)12/h17-40,53-54,61-62H,1-16H3;17-40,53-54,59-60H,1-16H3;13-24,41-42,47-48H,1-12H3 |
| InChIKey | HSPNRVWCJKVTKY-UHFFFAOYSA-N |
| XLogP | 44.04 |
| TPSA | 38.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2426.34 |
| LogP ≤ 5 | 44.04 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
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