bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)

C54H56HfSi — CID 173019968

IUPACbis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)
SMILESCCc1[cH-]c2cccc(-c3ccccc3)c2c1[Si](c1ccccc1)(c1ccccc1)c1c(CC)[cH-]c2cccc(-c3ccccc3)c12.[CH2-]CCC.[CH2-]CCC.[Hf+4]
InChIInChI=1S/C46H38Si.2C4H9.Hf/c1-3-33-31-37-23-17-29-41(35-19-9-5-10-20-35)43(37)45(33)47(39-25-13-7-14-26-39,40-27-15-8-16-28-40)46-34(4-2)32-38-24-18-30-42(44(38)46)36-21-11-6-12-22-36;2*1-3-4-2;/h5-32H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyCWMUBDJTDKFKTO-UHFFFAOYSA-N
MW911.62 g/mol
LogP12.51
Rot. Bonds10

About bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)

bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+) (PubChem CID 173019968) has the molecular formula C54H56HfSi and a molecular weight of 911.62 g/mol. Its IUPAC name is bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+).

Molecular Properties

Compound Namebis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)
PubChem CID173019968
Molecular FormulaC54H56HfSi
Molecular Weight911.62 g/mol
Exact Mass912.36
IUPAC Namebis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)
SMILESCCc1[cH-]c2cccc(-c3ccccc3)c2c1[Si](c1ccccc1)(c1ccccc1)c1c(CC)[cH-]c2cccc(-c3ccccc3)c12.[CH2-]CCC.[CH2-]CCC.[Hf+4]
InChIInChI=1S/C46H38Si.2C4H9.Hf/c1-3-33-31-37-23-17-29-41(35-19-9-5-10-20-35)43(37)45(33)47(39-25-13-7-14-26-39,40-27-15-8-16-28-40)46-34(4-2)32-38-24-18-30-42(44(38)46)36-21-11-6-12-22-36;2*1-3-4-2;/h5-32H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4
InChIKeyCWMUBDJTDKFKTO-UHFFFAOYSA-N
XLogP12.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500911.62
LogP ≤ 512.51
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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Related Compounds

bis(2-ethyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;zirconium(4+)
CID 173019699
bis(2-ethyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;titanium(4+)
CID 173019982
bis[2-ethyl-7-(4-pentylphenyl)-3H-inden-3-id-1-yl]-dimethylsilane;zirconium(2+)
CID 173245558
bis(2-methyl-3-naphthalen-1-yl-1H-inden-1-id-4-yl)-diphenylsilane;butane;zirconium(4+)
CID 173019961
butane;hafnium(4+);methyl-bis(2-methyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)-phenylsilane
CID 173020006
bis[7-(4-ethylphenyl)-2-methyl-3H-inden-3-id-1-yl]-dimethylsilane;zirconium(2+)
CID 173245755
butane;2-ethyl-1-[2-(2-ethyl-3H-cyclopenta[a]naphthalen-3-id-1-yl)propan-2-yl]-3H-cyclopenta[a]naphthalen-3-ide;hafnium(4+)
CID 173019827
CID 173162550
CID 173162550
CID 173337910
CID 173337910
tetrakis(2-ethyl-4-phenyl-1H-inden-1-ide);bis(zirconium(2+));difluoride
CID 18365664
tris(2-ethyl-4-phenyl-1H-inden-1-ide);tris(zirconium(2+));trifluoride
CID 18365661
2-ethyl-4-phenyl-1H-inden-1-ide;zirconium(3+);dichloride
CID 22485940

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)?
The IUPAC name of bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+) (CID 173019968) is bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+).
What is the SMILES notation for bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)?
The canonical SMILES for bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+) is CCc1[cH-]c2cccc(-c3ccccc3)c2c1[Si](c1ccccc1)(c1ccccc1)c1c(CC)[cH-]c2cccc(-c3ccccc3)c12.[CH2-]CCC.[CH2-]CCC.[Hf+4].
What is the InChIKey of bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)?
The InChIKey is CWMUBDJTDKFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H38Si.2C4H9.Hf/c1-3-33-31-37-23-17-29-41(35-19-9-5-10-20-35)43(37)45(33)47(39-25-13-7-14-26-39,40-27-15-8-16-28-40)46-34(4-2)32-38-24-18-30-42(44(38)46)36-21-11-6-12-22-36;2*1-3-4-2;/h5-32H,3-4H2,1-2H3;2*1,3-4H2,2H3;/q-2;2*-1;+4.
What are the key properties of bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+)?
bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+) has a molecular weight of 911.62 g/mol, XLogP of 12.51, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-7-phenyl-3H-inden-3-id-1-yl)-diphenylsilane;butane;hafnium(4+) is sourced from PubChem (CID 173019968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).