C56H80Si2Ti2 — CID 173473534
carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) (PubChem CID 173473534) has the molecular formula C56H80Si2Ti2 and a molecular weight of 905.16 g/mol. Its IUPAC name is carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)).
| Compound Name | carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) |
|---|---|
| PubChem CID | 173473534 |
| Molecular Formula | C56H80Si2Ti2 |
| Molecular Weight | 905.16 g/mol |
| Exact Mass | 904.48 |
| IUPAC Name | carbanide;(3,5-dimethylphenyl)-methyl-(2-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;(3,5-dimethylphenyl)-methyl-(3-methylphenyl)-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)silane;bis(titanium(4+)) |
| SMILES | CC1=[C-]C(C)([Si](C)(c2cc(C)cc(C)c2)c2ccccc2C)C(C)=C1C.CC1=[C-]C(C)([Si](C)(c2cccc(C)c2)c2cc(C)cc(C)c2)C(C)=C1C.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Ti+4].[Ti+4] |
| InChI | InChI=1S/2C25H31Si.6CH3.2Ti/c1-17-10-9-11-23(13-17)26(8,24-14-18(2)12-19(3)15-24)25(7)16-20(4)21(5)22(25)6;1-17-13-18(2)15-23(14-17)26(8,24-12-10-9-11-19(24)3)25(7)16-20(4)21(5)22(25)6;;;;;;;;/h2*9-15H,1-8H3;6*1H3;;/q8*-1;2*+4 |
| InChIKey | TUXFGCVZYQWVTQ-UHFFFAOYSA-N |
| XLogP | 14.03 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 6 |
| Heavy Atoms | 60 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 905.16 |
| LogP ≤ 5 | 14.03 |
| 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'} |
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