tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride

C32H32Cl2N4O4Ti2 — CID 173239538

IUPACtetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride
SMILESCc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.[Cl-].[Cl-].[Ti+3].[Ti+3]
InChIInChI=1S/4C8H9NO.2ClH.2Ti/c4*1-6-2-4-7(5-3-6)8(9)10;;;;/h4*2-5H,1H3,(H2,9,10);2*1H;;/q;;;;;;2*+3/p-6
InChIKeyQEUOMUCGGCEJIF-UHFFFAOYSA-H
MW703.27 g/mol
LogP2.75
Rot. Bonds4

About tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride

tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride (PubChem CID 173239538) has the molecular formula C32H32Cl2N4O4Ti2 and a molecular weight of 703.27 g/mol. Its IUPAC name is tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride.

Molecular Properties

Compound Nametetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride
PubChem CID173239538
Molecular FormulaC32H32Cl2N4O4Ti2
Molecular Weight703.27 g/mol
Exact Mass702.08
IUPAC Nametetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride
SMILESCc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.[Cl-].[Cl-].[Ti+3].[Ti+3]
InChIInChI=1S/4C8H9NO.2ClH.2Ti/c4*1-6-2-4-7(5-3-6)8(9)10;;;;/h4*2-5H,1H3,(H2,9,10);2*1H;;/q;;;;;;2*+3/p-6
InChIKeyQEUOMUCGGCEJIF-UHFFFAOYSA-H
XLogP2.75
TPSA163.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500703.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride 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

4-methylbenzoyl chloride
CID 13405
alumane;4-methylbenzoic acid
CID 173230362
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
1-(4-methylphenyl)ethanone;hydrochloride
CID 172692328
ethane;4-methylbenzoyl iodide
CID 142151570
sodium 4-methylbenzoic acid
CID 164511663
carbonic acid;1,4-xylene
CID 89415214
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585
mercury(2+);bis(4-methylbenzoate)
CID 22604467
gadolinium(3+);tris(4-methylbenzoate)
CID 159199337
azanium 4-methylbenzoate
CID 67114247

Frequently Asked Questions

What is the IUPAC name of tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride?
The IUPAC name of tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride (CID 173239538) is tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride.
What is the SMILES notation for tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride?
The canonical SMILES for tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride is Cc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.Cc1ccc(C([NH-])=O)cc1.[Cl-].[Cl-].[Ti+3].[Ti+3].
What is the InChIKey of tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride?
The InChIKey is QEUOMUCGGCEJIF-UHFFFAOYSA-H. The full InChI is InChI=1S/4C8H9NO.2ClH.2Ti/c4*1-6-2-4-7(5-3-6)8(9)10;;;;/h4*2-5H,1H3,(H2,9,10);2*1H;;/q;;;;;;2*+3/p-6.
What are the key properties of tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride?
tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride has a molecular weight of 703.27 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((4-methylbenzoyl)azanide);bis(titanium(3+));dichloride is sourced from PubChem (CID 173239538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).