bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)

C24H24N2O4Zr — CID 141004721

IUPACbis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)
SMILESO=CNc1ccc(O)cc1.O=CNc1ccc(O)cc1.[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7NO2.2C5H5.Zr/c2*9-5-8-6-1-3-7(10)4-2-6;2*1-2-4-5-3-1;/h2*1-5,10H,(H,8,9);2*1-5H;/q;;2*-1;+2
InChIKeyLWXZRLSDCYYTNB-UHFFFAOYSA-N
MW495.69 g/mol
LogP4.73
Rot. Bonds4

About bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)

bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+) (PubChem CID 141004721) has the molecular formula C24H24N2O4Zr and a molecular weight of 495.69 g/mol. Its IUPAC name is bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+).

Molecular Properties

Compound Namebis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)
PubChem CID141004721
Molecular FormulaC24H24N2O4Zr
Molecular Weight495.69 g/mol
Exact Mass494.08
IUPAC Namebis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)
SMILESO=CNc1ccc(O)cc1.O=CNc1ccc(O)cc1.[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C7H7NO2.2C5H5.Zr/c2*9-5-8-6-1-3-7(10)4-2-6;2*1-2-4-5-3-1;/h2*1-5,10H,(H,8,9);2*1-5H;/q;;2*-1;+2
InChIKeyLWXZRLSDCYYTNB-UHFFFAOYSA-N
XLogP4.73
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.69
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)?
The IUPAC name of bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+) (CID 141004721) is bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+).
What is the SMILES notation for bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)?
The canonical SMILES for bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+) is O=CNc1ccc(O)cc1.O=CNc1ccc(O)cc1.[Zr+2].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)?
The InChIKey is LWXZRLSDCYYTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO2.2C5H5.Zr/c2*9-5-8-6-1-3-7(10)4-2-6;2*1-2-4-5-3-1;/h2*1-5,10H,(H,8,9);2*1-5H;/q;;2*-1;+2.
What are the key properties of bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+)?
bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+) has a molecular weight of 495.69 g/mol, XLogP of 4.73, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclopenta-1,3-diene);bis(N-(4-hydroxyphenyl)formamide);zirconium(2+) is sourced from PubChem (CID 141004721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).