dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride

C44H42Cl2SiTi — CID 87865793

IUPACdimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
SMILESCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Ti+2].Cl.Cl
InChIInChI=1S/2C21H17.C2H6Si.2ClH.Ti/c2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;1-3-2;;;/h2*3-14H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyZNNODVXRSMJMHF-UHFFFAOYSA-N
MW717.68 g/mol
LogP13.51
Rot. Bonds4

About dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride

dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride (PubChem CID 87865793) has the molecular formula C44H42Cl2SiTi and a molecular weight of 717.68 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride.

Molecular Properties

Compound Namedimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
PubChem CID87865793
Molecular FormulaC44H42Cl2SiTi
Molecular Weight717.68 g/mol
Exact Mass716.19
IUPAC Namedimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
SMILESCCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Ti+2].Cl.Cl
InChIInChI=1S/2C21H17.C2H6Si.2ClH.Ti/c2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;1-3-2;;;/h2*3-14H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyZNNODVXRSMJMHF-UHFFFAOYSA-N
XLogP13.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.68
LogP ≤ 513.51
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'}

Analyze dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
CID 173314100
CID 173314100
CID 173314388
CID 173314388
CID 87522045
CID 87522045
CID 87865734
CID 87865734
CID 87865771
CID 87865771
bis(9-(2-ethyl-1H-inden-1-id-4-yl)anthracene);hafnium(4+);propane;dihydrochloride
CID 87960958
CID 173312536
CID 173312536
ethane;bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);phenylmethylidenesilane;titanium(4+)
CID 151466825
dimethylsilylidenezirconium(2+);bis(8-(2-ethyl-1H-inden-1-id-4-yl)quinoline);dichloride
CID 161305211
dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride
CID 87865717
dimethylsilylidenezirconium(2+);bis(2-ethyl-4-(2-methylphenyl)-1H-inden-1-ide);dichloride
CID 173142082

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride?
The IUPAC name of dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride (CID 87865793) is dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride.
What is the SMILES notation for dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride?
The canonical SMILES for dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride is CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.CCc1cc2c(-c3cccc4ccccc34)cccc2[cH-]1.C[Si](C)=[Ti+2].Cl.Cl.
What is the InChIKey of dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride?
The InChIKey is ZNNODVXRSMJMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H17.C2H6Si.2ClH.Ti/c2*1-2-15-13-17-9-6-12-20(21(17)14-15)19-11-5-8-16-7-3-4-10-18(16)19;1-3-2;;;/h2*3-14H,2H2,1H3;1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride?
dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride has a molecular weight of 717.68 g/mol, XLogP of 13.51, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride is sourced from PubChem (CID 87865793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).