bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride

C30H20Cl2N2Zr — CID 87773551

IUPACbis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride
SMILESC1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.C1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C15H10N.2ClH.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,8H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyAXKYQOAWZOBVDI-UHFFFAOYSA-L
MW570.63 g/mol
LogP-2.16
Rot. Bonds

About bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride

bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride (PubChem CID 87773551) has the molecular formula C30H20Cl2N2Zr and a molecular weight of 570.63 g/mol. Its IUPAC name is bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride.

Molecular Properties

Compound Namebis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride
PubChem CID87773551
Molecular FormulaC30H20Cl2N2Zr
Molecular Weight570.63 g/mol
Exact Mass568.01
IUPAC Namebis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride
SMILESC1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.C1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/2C15H10N.2ClH.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,8H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyAXKYQOAWZOBVDI-UHFFFAOYSA-L
XLogP-2.16
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.63
LogP ≤ 5-2.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride 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 bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride?
The IUPAC name of bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride (CID 87773551) is bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride.
What is the SMILES notation for bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride?
The canonical SMILES for bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride is C1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.C1=c2ccc3c(c2[N-]C1)C=c1ccccc1=3.[Cl-].[Cl-].[Zr+4].
What is the InChIKey of bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride?
The InChIKey is AXKYQOAWZOBVDI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10N.2ClH.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,8H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride?
bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride has a molecular weight of 570.63 g/mol, XLogP of -2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2H-indeno[1,2-g]indol-1-ide);zirconium(4+);dichloride is sourced from PubChem (CID 87773551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).