dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)

C42H36Cl2SiTi-2 — CID 173073682

IUPACdichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)
SMILESC[Si](C)=[Ti](Cl)Cl.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1
InChIInChI=1S/2C20H15.C2H6Si.2ClH.Ti/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18;1-3-2;;;/h2*2-13H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLFSFVEOTTABXII-UHFFFAOYSA-L
MW687.61 g/mol
LogP13.54
Rot. Bonds2

About dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)

dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene) (PubChem CID 173073682) has the molecular formula C42H36Cl2SiTi-2 and a molecular weight of 687.61 g/mol. Its IUPAC name is dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene).

Molecular Properties

Compound Namedichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)
PubChem CID173073682
Molecular FormulaC42H36Cl2SiTi-2
Molecular Weight687.61 g/mol
Exact Mass686.15
IUPAC Namedichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)
SMILESC[Si](C)=[Ti](Cl)Cl.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1
InChIInChI=1S/2C20H15.C2H6Si.2ClH.Ti/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18;1-3-2;;;/h2*2-13H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyLFSFVEOTTABXII-UHFFFAOYSA-L
XLogP13.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500687.61
LogP ≤ 513.54
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

CID 173192733
CID 173192733
bis(2-methyl-4-phenyl-1H-inden-1-ide);bis(titanium(2+));dichloride
CID 22104595
dimethylsilylidenezirconium(2+);bis(2-methyl-4-(4-phenylphenyl)-1H-inden-1-ide);dichloride
CID 173142029
hafnium;2-methyl-4-phenyl-1H-inden-1-ide
CID 154081664
dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide
CID 173178603
tetrakis(4-(4-chlorophenyl)-2-methyl-1H-inden-1-ide);bis(dimethylsilylidenezirconium(2+));dichloride
CID 22335819
dichlorozirconium;2-methyl-4-(4-methylphenyl)-1H-inden-1-ide
CID 173228625
dichlorozirconium;2-methyl-4-phenyl-1H-inden-1-ide
CID 173091185
CID 87993698
CID 87993698
CID 150666493
CID 150666493
CID 173284099
CID 173284099
CID 172998756
CID 172998756

Frequently Asked Questions

What is the IUPAC name of dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)?
The IUPAC name of dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene) (CID 173073682) is dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene).
What is the SMILES notation for dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)?
The canonical SMILES for dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene) is C[Si](C)=[Ti](Cl)Cl.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.Cc1cc2c(-c3ccc4ccccc4c3)cccc2[cH-]1.
What is the InChIKey of dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)?
The InChIKey is LFSFVEOTTABXII-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H15.C2H6Si.2ClH.Ti/c2*1-14-11-17-7-4-8-19(20(17)12-14)18-10-9-15-5-2-3-6-16(15)13-18;1-3-2;;;/h2*2-13H,1H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene)?
dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene) has a molecular weight of 687.61 g/mol, XLogP of 13.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(dimethylsilylidene)titanium;bis(2-(2-methyl-1H-inden-1-id-4-yl)naphthalene) is sourced from PubChem (CID 173073682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).