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

C37H42Cl2SiTi — CID 87865764

IUPACdimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride
SMILESCCc1cc2c(C(C)C)cccc2[cH-]1.CCc1ccc(-c2cc3ccccc3[cH-]2)c2ccccc12.C[Si](C)=[Ti+2].Cl.Cl
InChIInChI=1S/C21H17.C14H17.C2H6Si.2ClH.Ti/c1-2-15-11-12-20(21-10-6-5-9-19(15)21)18-13-16-7-3-4-8-17(16)14-18;1-4-11-8-12-6-5-7-13(10(2)3)14(12)9-11;1-3-2;;;/h3-14H,2H2,1H3;5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyLWUDGFRIKKZALT-UHFFFAOYSA-N
MW633.60 g/mol
LogP11.81
Rot. Bonds4

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

dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride (PubChem CID 87865764) has the molecular formula C37H42Cl2SiTi and a molecular weight of 633.60 g/mol. Its IUPAC name is dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride.

Molecular Properties

Compound Namedimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride
PubChem CID87865764
Molecular FormulaC37H42Cl2SiTi
Molecular Weight633.60 g/mol
Exact Mass632.19
IUPAC Namedimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride
SMILESCCc1cc2c(C(C)C)cccc2[cH-]1.CCc1ccc(-c2cc3ccccc3[cH-]2)c2ccccc12.C[Si](C)=[Ti+2].Cl.Cl
InChIInChI=1S/C21H17.C14H17.C2H6Si.2ClH.Ti/c1-2-15-11-12-20(21-10-6-5-9-19(15)21)18-13-16-7-3-4-8-17(16)14-18;1-4-11-8-12-6-5-7-13(10(2)3)14(12)9-11;1-3-2;;;/h3-14H,2H2,1H3;5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2
InChIKeyLWUDGFRIKKZALT-UHFFFAOYSA-N
XLogP11.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.60
LogP ≤ 511.81
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 87865771
CID 87865771
dimethylsilylidenetitanium(2+);bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);dihydrochloride
CID 87865793
dichloro(dimethylsilylidene)titanium;2-ethyl-1H-inden-1-ide;2-methyl-4-propan-2-yl-1H-inden-1-ide
CID 173178603
dichloro(dimethylsilylidene)titanium;2-ethyl-4-phenyl-1H-inden-1-ide;2-ethyl-4-propan-2-yl-1H-inden-1-ide
CID 173178604
dimethylsilylidenetitanium(2+);2-ethyl-1H-inden-1-ide;2-methyl-4-phenyl-1H-inden-1-ide;dichloride
CID 87865717
1-(1H-inden-1-id-2-yl)naphthalene;zirconium
CID 152569532
bis(1-(2-ethyl-1H-inden-1-id-4-yl)naphthalene);bis(zirconium(2+));dichloride
CID 18628506
CID 173314100
CID 173314100
carbanide;1-(1H-inden-1-id-2-yl)naphthalene;zirconium(3+)
CID 173277586
CID 173314388
CID 173314388
2,4-diethyl-1H-inden-1-ide;hafnium;dichloride
CID 159398719
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038

Frequently Asked Questions

What is the IUPAC name of dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride?
The IUPAC name of dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride (CID 87865764) is dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride.
What is the SMILES notation for dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride?
The canonical SMILES for dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride is CCc1cc2c(C(C)C)cccc2[cH-]1.CCc1ccc(-c2cc3ccccc3[cH-]2)c2ccccc12.C[Si](C)=[Ti+2].Cl.Cl.
What is the InChIKey of dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride?
The InChIKey is LWUDGFRIKKZALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17.C14H17.C2H6Si.2ClH.Ti/c1-2-15-11-12-20(21-10-6-5-9-19(15)21)18-13-16-7-3-4-8-17(16)14-18;1-4-11-8-12-6-5-7-13(10(2)3)14(12)9-11;1-3-2;;;/h3-14H,2H2,1H3;5-10H,4H2,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2.
What are the key properties of dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride?
dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride has a molecular weight of 633.60 g/mol, XLogP of 11.81, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylsilylidenetitanium(2+);1-ethyl-4-(1H-inden-1-id-2-yl)naphthalene;2-ethyl-4-propan-2-yl-1H-inden-1-ide;dihydrochloride is sourced from PubChem (CID 87865764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).