tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride

C24H27Cl2NSiTi-2 — CID 87328484

IUPACtert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride
SMILESCC(C)(C)[NH-].C[Si](=[Ti+2])c1ccccc1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C7H8Si.C4H10N.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-7-5-3-2-4-6-7;1-4(2,3)5;;;/h1-9H;2-6H,1H3;5H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyAMQGBGGYTFKAPB-UHFFFAOYSA-L
MW476.35 g/mol
LogP0.62
Rot. Bonds1

About tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride

tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride (PubChem CID 87328484) has the molecular formula C24H27Cl2NSiTi-2 and a molecular weight of 476.35 g/mol. Its IUPAC name is tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride.

Molecular Properties

Compound Nametert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride
PubChem CID87328484
Molecular FormulaC24H27Cl2NSiTi-2
Molecular Weight476.35 g/mol
Exact Mass475.08
IUPAC Nametert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride
SMILESCC(C)(C)[NH-].C[Si](=[Ti+2])c1ccccc1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C7H8Si.C4H10N.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-7-5-3-2-4-6-7;1-4(2,3)5;;;/h1-9H;2-6H,1H3;5H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2
InChIKeyAMQGBGGYTFKAPB-UHFFFAOYSA-L
XLogP0.62
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.35
LogP ≤ 50.62
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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Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride?
The IUPAC name of tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride (CID 87328484) is tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride.
What is the SMILES notation for tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride?
The canonical SMILES for tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride is CC(C)(C)[NH-].C[Si](=[Ti+2])c1ccccc1.[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride?
The InChIKey is AMQGBGGYTFKAPB-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C7H8Si.C4H10N.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-8-7-5-3-2-4-6-7;1-4(2,3)5;;;/h1-9H;2-6H,1H3;5H,1-3H3;2*1H;/q-1;;-1;;;+2/p-2.
What are the key properties of tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride?
tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride has a molecular weight of 476.35 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;9H-fluoren-9-ide;[methyl(phenyl)silylidene]titanium(2+);dichloride is sourced from PubChem (CID 87328484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).