bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol

C186H160Cl8O13Zr4 — CID 159033104

About bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol

bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol (PubChem CID 159033104) has the molecular formula C186H160Cl8O13Zr4 and a molecular weight of 3251.83 g/mol. Its IUPAC name is bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol.

Molecular Properties

• Compound Name: bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol
• PubChem CID: 159033104
• Molecular Formula: C186H160Cl8O13Zr4
• Molecular Weight: 3251.83 g/mol
• Exact Mass: 3240.56
• IUPAC Name: bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol
• SMILES: Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCCCOCc1ccccc1-c1cccc(-c2ccccc2)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCCCOCc1ccccc1-c1cccc(-c2ccccc2)c1O.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCc1ccccc1-c1cccc(-c2ccccc2)c1O.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCc1ccccc1-c1cccc(-c2ccccc2)c1O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1
• InChI: InChI=1S/C41H36O4.C41H36O3.2C38H30O3.4C7H7.8ClH.4Zr/c42-40-36(30-14-3-1-4-15-30)22-11-24-38(40)34-20-9-7-18-32(34)28-44-26-13-27-45-29-33-19-8-10-21-35(33)39-25-12-23-37(41(39)43)31-16-5-2-6-17-31;42-41-39(32-16-5-2-6-17-32)24-12-25-40(41)38-23-10-8-19-36(38)30-44-27-13-26-43-29-35-18-7-9-22-37(35)34-21-11-20-33(28-34)31-14-3-1-4-15-31;2*39-37-33(27-13-3-1-4-14-27)21-11-23-35(37)31-19-9-7-17-29(31)25-41-26-30-18-8-10-20-32(30)36-24-12-22-34(38(36)40)28-15-5-2-6-16-28;4*1-7-5-3-2-4-6-7;;;;;;;;;;;;/h1-12,14-25,42-43H,13,26-29H2;1-12,14-25,28,42H,13,26-27,29-30H2;2*1-24,39-40H,25-26H2;4*2-6H,1H2;8*1H;;;;/q;;;;4*-1;;;;;;;;;2*+2;2*+4/p-8
• InChIKey: AYJTYTWPHWORDP-UHFFFAOYSA-F
• XLogP: 52.02
• TPSA: 196.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 13
• Rotatable Bonds: 40
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3251.83
LogP ≤ 5	52.02
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol?

The IUPAC name of bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol (CID 159033104) is bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol.

What is the SMILES notation for bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol?

The canonical SMILES for bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol is Cl[Zr+2]Cl.Cl[Zr+2]Cl.Cl[Zr]Cl.Cl[Zr]Cl.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCCCOCc1ccccc1-c1cccc(-c2ccccc2)c1.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCCCOCc1ccccc1-c1cccc(-c2ccccc2)c1O.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCc1ccccc1-c1cccc(-c2ccccc2)c1O.Oc1c(-c2ccccc2)cccc1-c1ccccc1COCc1ccccc1-c1cccc(-c2ccccc2)c1O.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.

What is the InChIKey of bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol?

The InChIKey is AYJTYTWPHWORDP-UHFFFAOYSA-F. The full InChI is InChI=1S/C41H36O4.C41H36O3.2C38H30O3.4C7H7.8ClH.4Zr/c42-40-36(30-14-3-1-4-15-30)22-11-24-38(40)34-20-9-7-18-32(34)28-44-26-13-27-45-29-33-19-8-10-21-35(33)39-25-12-23-37(41(39)43)31-16-5-2-6-17-31;42-41-39(32-16-5-2-6-17-32)24-12-25-40(41)38-23-10-8-19-36(38)30-44-27-13-26-43-29-35-18-7-9-22-37(35)34-21-11-20-33(28-34)31-14-3-1-4-15-31;2*39-37-33(27-13-3-1-4-14-27)21-11-23-35(37)31-19-9-7-17-29(31)25-41-26-30-18-8-10-20-32(30)36-24-12-22-34(38(36)40)28-15-5-2-6-16-28;4*1-7-5-3-2-4-6-7;;;;;;;;;;;;/h1-12,14-25,42-43H,13,26-29H2;1-12,14-25,28,42H,13,26-27,29-30H2;2*1-24,39-40H,25-26H2;4*2-6H,1H2;8*1H;;;;/q;;;;4*-1;;;;;;;;;2*+2;2*+4/p-8.

What are the key properties of bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol?

bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol has a molecular weight of 3251.83 g/mol, XLogP of 52.02, 40 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dichlorozirconium);bis(dichlorozirconium(2+));bis(2-[2-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxymethyl]phenyl]-6-phenylphenol);2-[2-[3-[[2-(2-hydroxy-3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]-6-phenylphenol;methanidylbenzene;2-phenyl-6-[2-[3-[[2-(3-phenylphenyl)phenyl]methoxy]propoxymethyl]phenyl]phenol is sourced from PubChem (CID 159033104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).