ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride

C21H27Cl2NTi — CID 23450537

IUPACditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride
SMILESCC(C)(C)[N-]C(C)(C)C.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H18N.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2,3)9-8(4,5)6;;;/h1-9H;1-6H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyOKLYGDWFBCUBDR-UHFFFAOYSA-L
MW412.23 g/mol
LogP0.67
Rot. Bonds

About ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride

ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride (PubChem CID 23450537) has the molecular formula C21H27Cl2NTi and a molecular weight of 412.23 g/mol. Its IUPAC name is ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride.

Molecular Properties

Compound Nameditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride
PubChem CID23450537
Molecular FormulaC21H27Cl2NTi
Molecular Weight412.23 g/mol
Exact Mass411.10
IUPAC Nameditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride
SMILESCC(C)(C)[N-]C(C)(C)C.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C8H18N.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2,3)9-8(4,5)6;;;/h1-9H;1-6H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyOKLYGDWFBCUBDR-UHFFFAOYSA-L
XLogP0.67
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride?
The IUPAC name of ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride (CID 23450537) is ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride.
What is the SMILES notation for ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride?
The canonical SMILES for ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride is CC(C)(C)[N-]C(C)(C)C.[Cl-].[Cl-].[Ti+4].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride?
The InChIKey is OKLYGDWFBCUBDR-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C8H18N.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-7(2,3)9-8(4,5)6;;;/h1-9H;1-6H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride?
ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride has a molecular weight of 412.23 g/mol, XLogP of 0.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butylazanide;9H-fluoren-9-ide;titanium(4+);dichloride is sourced from PubChem (CID 23450537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).