dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide

C33H38Cl2SiTi-2 — CID 173178604

IUPACdichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(C(C)C)cccc2[cH-]1.C[Si](C)=[Ti](Cl)Cl
InChIInChI=1S/C17H15.C14H17.C2H6Si.2ClH.Ti/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-4-11-8-12-6-5-7-13(10(2)3)14(12)9-11;1-3-2;;;/h3-12H,2H2,1H3;5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNNJRWTVHSWORHH-UHFFFAOYSA-L
MW581.53 g/mol
LogP11.20
Rot. Bonds4

About dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide

dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide (PubChem CID 173178604) has the molecular formula C33H38Cl2SiTi-2 and a molecular weight of 581.53 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide.

Molecular Properties

Compound Namedichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide
PubChem CID173178604
Molecular FormulaC33H38Cl2SiTi-2
Molecular Weight581.53 g/mol
Exact Mass580.16
IUPAC Namedichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide
SMILESCCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(C(C)C)cccc2[cH-]1.C[Si](C)=[Ti](Cl)Cl
InChIInChI=1S/C17H15.C14H17.C2H6Si.2ClH.Ti/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-4-11-8-12-6-5-7-13(10(2)3)14(12)9-11;1-3-2;;;/h3-12H,2H2,1H3;5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyNNJRWTVHSWORHH-UHFFFAOYSA-L
XLogP11.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.53
LogP ≤ 511.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide
CID 173178603
bis(dimethylsilylidenezirconium(2+));tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18008267
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-phenyl-1H-inden-1-ide);dichloride
CID 18433941
dichlorozirconium;2-ethyl-4-phenyl-1H-inden-1-ide
CID 173177411
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
CID 172998737
CID 172998737
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657
CID 173313790
CID 173313790
CID 87823190
CID 87823190
CID 87865771
CID 87865771

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide?
The IUPAC name of dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide (CID 173178604) is dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide.
What is the SMILES notation for dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide?
The canonical SMILES for dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide is CCc1cc2c(-c3ccccc3)cccc2[cH-]1.CCc1cc2c(C(C)C)cccc2[cH-]1.C[Si](C)=[Ti](Cl)Cl.
What is the InChIKey of dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide?
The InChIKey is NNJRWTVHSWORHH-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H15.C14H17.C2H6Si.2ClH.Ti/c1-2-13-11-15-9-6-10-16(17(15)12-13)14-7-4-3-5-8-14;1-4-11-8-12-6-5-7-13(10(2)3)14(12)9-11;1-3-2;;;/h3-12H,2H2,1H3;5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide?
dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide has a molecular weight of 581.53 g/mol, XLogP of 11.20, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide is sourced from PubChem (CID 173178604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).