benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium

C31H29Zr-7 — CID 173237119

IUPACbenzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium
SMILES[CH3-].[H-].[H-].[Zr].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.CH3.Zr.2H/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;;;/h2*1-7H;2*1-5H;1H3;;;/q5*-1;;2*-1
InChIKeyZIVXAGMFYYBWBI-UHFFFAOYSA-N
MW492.80 g/mol
LogP8.76
Rot. Bonds

About benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium

benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium (PubChem CID 173237119) has the molecular formula C31H29Zr-7 and a molecular weight of 492.80 g/mol. Its IUPAC name is benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium.

Molecular Properties

Compound Namebenzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium
PubChem CID173237119
Molecular FormulaC31H29Zr-7
Molecular Weight492.80 g/mol
Exact Mass491.14
IUPAC Namebenzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium
SMILES[CH3-].[H-].[H-].[Zr].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C9H7.2C6H5.CH3.Zr.2H/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;;;/h2*1-7H;2*1-5H;1H3;;;/q5*-1;;2*-1
InChIKeyZIVXAGMFYYBWBI-UHFFFAOYSA-N
XLogP8.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.80
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium?
The IUPAC name of benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium (CID 173237119) is benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium.
What is the SMILES notation for benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium?
The canonical SMILES for benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium is [CH3-].[H-].[H-].[Zr].[c-]1ccccc1.[c-]1ccccc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium?
The InChIKey is ZIVXAGMFYYBWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7.2C6H5.CH3.Zr.2H/c2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;;;;/h2*1-7H;2*1-5H;1H3;;;/q5*-1;;2*-1.
What are the key properties of benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium?
benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium has a molecular weight of 492.80 g/mol, XLogP of 8.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;carbanide;hydride;bis(1H-inden-1-ide);zirconium is sourced from PubChem (CID 173237119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).