dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)

C32H34Cl2N2O2Zr — CID 20870809

IUPACdichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)
SMILESC/N=C(/CC(O)c1ccccc1)c1ccccc1.C/N=C(/CC(O)c1ccccc1)c1ccccc1.Cl[Zr]Cl
InChIInChI=1S/2C16H17NO.2ClH.Zr/c2*1-17-15(13-8-4-2-5-9-13)12-16(18)14-10-6-3-7-11-14;;;/h2*2-11,16,18H,12H2,1H3;2*1H;/q;;;;+2/p-2/b2*17-15-;;;
InChIKeyVJAWZIVDXWPGMA-BIHRYHCKSA-L
MW640.77 g/mol
LogP7.83
Rot. Bonds8

About dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)

dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol) (PubChem CID 20870809) has the molecular formula C32H34Cl2N2O2Zr and a molecular weight of 640.77 g/mol. Its IUPAC name is dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol).

Molecular Properties

Compound Namedichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)
PubChem CID20870809
Molecular FormulaC32H34Cl2N2O2Zr
Molecular Weight640.77 g/mol
Exact Mass638.10
IUPAC Namedichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)
SMILESC/N=C(/CC(O)c1ccccc1)c1ccccc1.C/N=C(/CC(O)c1ccccc1)c1ccccc1.Cl[Zr]Cl
InChIInChI=1S/2C16H17NO.2ClH.Zr/c2*1-17-15(13-8-4-2-5-9-13)12-16(18)14-10-6-3-7-11-14;;;/h2*2-11,16,18H,12H2,1H3;2*1H;/q;;;;+2/p-2/b2*17-15-;;;
InChIKeyVJAWZIVDXWPGMA-BIHRYHCKSA-L
XLogP7.83
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.77
LogP ≤ 57.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol) 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 dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)?
The IUPAC name of dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol) (CID 20870809) is dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol).
What is the SMILES notation for dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)?
The canonical SMILES for dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol) is C/N=C(/CC(O)c1ccccc1)c1ccccc1.C/N=C(/CC(O)c1ccccc1)c1ccccc1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)?
The InChIKey is VJAWZIVDXWPGMA-BIHRYHCKSA-L. The full InChI is InChI=1S/2C16H17NO.2ClH.Zr/c2*1-17-15(13-8-4-2-5-9-13)12-16(18)14-10-6-3-7-11-14;;;/h2*2-11,16,18H,12H2,1H3;2*1H;/q;;;;+2/p-2/b2*17-15-;;;.
What are the key properties of dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol)?
dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol) has a molecular weight of 640.77 g/mol, XLogP of 7.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;bis(3-methylimino-1,3-diphenylpropan-1-ol) is sourced from PubChem (CID 20870809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).