ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane

C31H34HfSi — CID 151250584

IUPACethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[CH2-]C.[Hf+4].[SiH2]=[C-]c1ccccc1
InChIInChI=1S/2C11H11.C7H7Si.C2H5.Hf/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;8-6-7-4-2-1-3-5-7;1-2;/h2*3-8H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4
InChIKeyNSFXLSNLNIFNCV-UHFFFAOYSA-N
MW613.19 g/mol
LogP7.43
Rot. Bonds3

About ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane

ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane (PubChem CID 151250584) has the molecular formula C31H34HfSi and a molecular weight of 613.19 g/mol. Its IUPAC name is ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane.

Molecular Properties

Compound Nameethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane
PubChem CID151250584
Molecular FormulaC31H34HfSi
Molecular Weight613.19 g/mol
Exact Mass614.19
IUPAC Nameethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane
SMILESCCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[CH2-]C.[Hf+4].[SiH2]=[C-]c1ccccc1
InChIInChI=1S/2C11H11.C7H7Si.C2H5.Hf/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;8-6-7-4-2-1-3-5-7;1-2;/h2*3-8H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4
InChIKeyNSFXLSNLNIFNCV-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.19
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane?
The IUPAC name of ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane (CID 151250584) is ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane.
What is the SMILES notation for ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane?
The canonical SMILES for ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane is CCc1cc2ccccc2[cH-]1.CCc1cc2ccccc2[cH-]1.[CH2-]C.[Hf+4].[SiH2]=[C-]c1ccccc1.
What is the InChIKey of ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane?
The InChIKey is NSFXLSNLNIFNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H11.C7H7Si.C2H5.Hf/c2*1-2-9-7-10-5-3-4-6-11(10)8-9;8-6-7-4-2-1-3-5-7;1-2;/h2*3-8H,2H2,1H3;1-5H,8H2;1H2,2H3;/q4*-1;+4.
What are the key properties of ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane?
ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane has a molecular weight of 613.19 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane is sourced from PubChem (CID 151250584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).