tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride

C18H21Cl2NTi-2 — CID 87328551

IUPACtert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride
SMILESC=[Ti+2].CC(C)(C)[NH-].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C4H10N.CH2.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4(2,3)5;;;;/h1-9H;5H,1-3H3;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFYPJPHVQDGVYMK-UHFFFAOYSA-L
MW370.15 g/mol
LogP-0.48
Rot. Bonds

About tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride

tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride (PubChem CID 87328551) has the molecular formula C18H21Cl2NTi-2 and a molecular weight of 370.15 g/mol. Its IUPAC name is tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride.

Molecular Properties

Compound Nametert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride
PubChem CID87328551
Molecular FormulaC18H21Cl2NTi-2
Molecular Weight370.15 g/mol
Exact Mass369.05
IUPAC Nametert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride
SMILESC=[Ti+2].CC(C)(C)[NH-].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12
InChIInChI=1S/C13H9.C4H10N.CH2.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4(2,3)5;;;;/h1-9H;5H,1-3H3;1H2;2*1H;/q2*-1;;;;+2/p-2
InChIKeyFYPJPHVQDGVYMK-UHFFFAOYSA-L
XLogP-0.48
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride?
The IUPAC name of tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride (CID 87328551) is tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride.
What is the SMILES notation for tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride?
The canonical SMILES for tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride is C=[Ti+2].CC(C)(C)[NH-].[Cl-].[Cl-].c1ccc2c(c1)[cH-]c1ccccc12.
What is the InChIKey of tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride?
The InChIKey is FYPJPHVQDGVYMK-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C4H10N.CH2.2ClH.Ti/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-4(2,3)5;;;;/h1-9H;5H,1-3H3;1H2;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride?
tert-butylazanide;9H-fluoren-9-ide;methylidenetitanium(2+);dichloride has a molecular weight of 370.15 g/mol, XLogP of -0.48, 0 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;methylidenetitanium(2+);dichloride is sourced from PubChem (CID 87328551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).