C175H204Cl8Si4Zr4 — CID 162274716
4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenyl-prop-2-enylsilane;(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;carbanide;tetrakis(dichlorozirconium(2+)) (PubChem CID 162274716) has the molecular formula C175H204Cl8Si4Zr4 and a molecular weight of 3068.42 g/mol. Its IUPAC name is 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenyl-prop-2-enylsilane;(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;carbanide;tetrakis(dichlorozirconium(2+)).
| Compound Name | 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenyl-prop-2-enylsilane;(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;carbanide;tetrakis(dichlorozirconium(2+)) |
|---|---|
| PubChem CID | 162274716 |
| Molecular Formula | C175H204Cl8Si4Zr4 |
| Molecular Weight | 3068.42 g/mol |
| Exact Mass | 3056.87 |
| IUPAC Name | 4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl-(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;bis(4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-phenyl-prop-2-enylsilane;(2-tert-butyl-7-methyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-(2,7-ditert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluoren-9-yl)-diphenylsilane;carbanide;tetrakis(dichlorozirconium(2+)) |
| SMILES | C1=CC2C3C=CC=CC3C([Si](c3ccccc3)(c3ccccc3)C3C4C=CC=CC4C4C=CC=CC43)C2C=C1.C=CC[Si](c1ccccc1)(C1C2C=CC=CC2C2C=CC=CC21)C1C2C=CC=CC2C2C=CC=CC21.CC1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2[Si](c1ccccc1)(c1ccccc1)C1C2C=C(C(C)(C)C)C=CC2C2C=CC(C(C)(C)C)=CC21.CC1=CC2C(C=C1)C1C=CC(C(C)(C)C)=CC1C2[Si](c1ccccc1)(c1ccccc1)C1C2C=CC=CC2C2C=CC=CC21.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr+2]Cl.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-] |
| InChI | InChI=1S/C51H62Si.C43H46Si.C38H36Si.C35H36Si.8CH3.8ClH.4Zr/c1-33-21-25-39-40-26-22-34(49(2,3)4)30-44(40)47(43(39)29-33)52(37-17-13-11-14-18-37,38-19-15-12-16-20-38)48-45-31-35(50(5,6)7)23-27-41(45)42-28-24-36(32-46(42)48)51(8,9)10;1-29-23-25-35-36-26-24-30(43(2,3)4)28-40(36)42(39(35)27-29)44(31-15-7-5-8-16-31,32-17-9-6-10-18-32)41-37-21-13-11-19-33(37)34-20-12-14-22-38(34)41;1-3-15-27(16-4-1)39(28-17-5-2-6-18-28,37-33-23-11-7-19-29(33)30-20-8-12-24-34(30)37)38-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38;1-2-24-36(25-14-4-3-5-15-25,34-30-20-10-6-16-26(30)27-17-7-11-21-31(27)34)35-32-22-12-8-18-28(32)29-19-9-13-23-33(29)35;;;;;;;;;;;;;;;;;;;;/h11-32,39-48H,1-10H3;5-28,33-42H,1-4H3;1-26,29-38H;2-23,26-35H,1,24H2;8*1H3;8*1H;;;;/q;;;;8*-1;;;;;;;;;4*+4/p-8 |
| InChIKey | LJBWWFZHDPJBGB-UHFFFAOYSA-F |
| XLogP | 45.64 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 191 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3068.42 |
| LogP ≤ 5 | 45.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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