hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride

C38H32Cl2HfN2 — CID 87862650

IUPAChafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride
SMILESCc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C19H16N.2ClH.Hf/c2*1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;;;/h2*3-12H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKDNXERIQSMBRJX-UHFFFAOYSA-L
MW766.08 g/mol
LogP4.24
Rot. Bonds2

About hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride

hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride (PubChem CID 87862650) has the molecular formula C38H32Cl2HfN2 and a molecular weight of 766.08 g/mol. Its IUPAC name is hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride
PubChem CID87862650
Molecular FormulaC38H32Cl2HfN2
Molecular Weight766.08 g/mol
Exact Mass766.14
IUPAC Namehafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride
SMILESCc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C19H16N.2ClH.Hf/c2*1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;;;/h2*3-12H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyKDNXERIQSMBRJX-UHFFFAOYSA-L
XLogP4.24
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500766.08
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);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 hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride?
The IUPAC name of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride (CID 87862650) is hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride.
What is the SMILES notation for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride?
The canonical SMILES for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride is Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.Cc1c(C)n(-c2cc3ccccc3[cH-]2)c2ccccc12.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride?
The InChIKey is KDNXERIQSMBRJX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H16N.2ClH.Hf/c2*1-13-14(2)20(19-10-6-5-9-18(13)19)17-11-15-7-3-4-8-16(15)12-17;;;/h2*3-12H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride?
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride has a molecular weight of 766.08 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)-2,3-dimethylindole);dichloride is sourced from PubChem (CID 87862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).