bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)

C30H16N2Zr — CID 87649127

IUPACbis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)
SMILES[C-]1=Nc2c3c(ccc2=C1)=c1ccccc1=C3.[C-]1=Nc2c3c(ccc2=C1)=c1ccccc1=C3.[Zr+2]
InChIInChI=1S/2C15H8N.Zr/c2*1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14;/h2*1-7,9H;/q2*-1;+2
InChIKeyDPJXSJYFRGLARG-UHFFFAOYSA-N
MW495.70 g/mol
LogP2.98
Rot. Bonds

About bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)

bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+) (PubChem CID 87649127) has the molecular formula C30H16N2Zr and a molecular weight of 495.70 g/mol. Its IUPAC name is bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+).

Molecular Properties

Compound Namebis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)
PubChem CID87649127
Molecular FormulaC30H16N2Zr
Molecular Weight495.70 g/mol
Exact Mass494.04
IUPAC Namebis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)
SMILES[C-]1=Nc2c3c(ccc2=C1)=c1ccccc1=C3.[C-]1=Nc2c3c(ccc2=C1)=c1ccccc1=C3.[Zr+2]
InChIInChI=1S/2C15H8N.Zr/c2*1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14;/h2*1-7,9H;/q2*-1;+2
InChIKeyDPJXSJYFRGLARG-UHFFFAOYSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)?
The IUPAC name of bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+) (CID 87649127) is bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+).
What is the SMILES notation for bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)?
The canonical SMILES for bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+) is [C-]1=Nc2c3c(ccc2=C1)=c1ccccc1=C3.[C-]1=Nc2c3c(ccc2=C1)=c1ccccc1=C3.[Zr+2].
What is the InChIKey of bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)?
The InChIKey is DPJXSJYFRGLARG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H8N.Zr/c2*1-2-4-12-11(3-1)9-14-13(12)6-5-10-7-8-16-15(10)14;/h2*1-7,9H;/q2*-1;+2.
What are the key properties of bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+)?
bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+) has a molecular weight of 495.70 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-indeno[1,2-g]indol-2-ide);zirconium(2+) is sourced from PubChem (CID 87649127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).