butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)

C39H48SiZr — CID 150271054

IUPACbutane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)
SMILESCCc1[c-]c2ccccc2c(-c2ccccc2)c1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(C)=[SiH2].[CH2-]CCC.[Zr+4]
InChIInChI=1S/C18H15.C11H11.C6H13Si.C4H9.Zr/c1-2-14-12-16-10-6-7-11-17(16)18(13-14)15-8-4-3-5-9-15;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-5-6(2)7;1-3-4-2;/h3-11,13H,2H2,1H3;3-8H,2H2,1H3;3H,4-5,7H2,1-2H3;1,3-4H2,2H3;/q4*-1;+4
InChIKeyUBPFKVCOJRSGHS-UHFFFAOYSA-N
MW636.12 g/mol
LogP10.42
Rot. Bonds7

About butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)

butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) (PubChem CID 150271054) has the molecular formula C39H48SiZr and a molecular weight of 636.12 g/mol. Its IUPAC name is butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+).

Molecular Properties

Compound Namebutane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)
PubChem CID150271054
Molecular FormulaC39H48SiZr
Molecular Weight636.12 g/mol
Exact Mass634.26
IUPAC Namebutane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)
SMILESCCc1[c-]c2ccccc2c(-c2ccccc2)c1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(C)=[SiH2].[CH2-]CCC.[Zr+4]
InChIInChI=1S/C18H15.C11H11.C6H13Si.C4H9.Zr/c1-2-14-12-16-10-6-7-11-17(16)18(13-14)15-8-4-3-5-9-15;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-5-6(2)7;1-3-4-2;/h3-11,13H,2H2,1H3;3-8H,2H2,1H3;3H,4-5,7H2,1-2H3;1,3-4H2,2H3;/q4*-1;+4
InChIKeyUBPFKVCOJRSGHS-UHFFFAOYSA-N
XLogP10.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.12
LogP ≤ 510.42
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'}

Analyze butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) with MolForge

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Related Compounds

butane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);1-phenylpentylidenesilane
CID 151120064
carbanide;bis(2-ethyl-1H-inden-1-ide);propane;zirconium(3+);zirconium(4+)
CID 173263826
chromium(3+);2-ethyl-1H-inden-1-ide;dichloride
CID 160866038
bis(2-ethyl-1H-inden-1-ide);scandium(3+);chloride
CID 174370815
CID 172721451
CID 172721451
CID 173162550
CID 173162550
CID 87865734
CID 87865734
CID 173161362
CID 173161362
carbanide;bis(2-ethyl-4-phenyl-1H-inden-1-ide);hafnium;propane
CID 173162657
ethane;bis(2-ethyl-1H-inden-1-ide);hafnium(4+);phenylmethylidenesilane
CID 151250584
CID 172728352
CID 172728352
CID 173162612
CID 173162612

Frequently Asked Questions

What is the IUPAC name of butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
The IUPAC name of butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) (CID 150271054) is butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+).
What is the SMILES notation for butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
The canonical SMILES for butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) is CCc1[c-]c2ccccc2c(-c2ccccc2)c1.CCc1cc2ccccc2[cH-]1.C[CH-]CCC(C)=[SiH2].[CH2-]CCC.[Zr+4].
What is the InChIKey of butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
The InChIKey is UBPFKVCOJRSGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15.C11H11.C6H13Si.C4H9.Zr/c1-2-14-12-16-10-6-7-11-17(16)18(13-14)15-8-4-3-5-9-15;1-2-9-7-10-5-3-4-6-11(10)8-9;1-3-4-5-6(2)7;1-3-4-2;/h3-11,13H,2H2,1H3;3-8H,2H2,1H3;3H,4-5,7H2,1-2H3;1,3-4H2,2H3;/q4*-1;+4.
What are the key properties of butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+)?
butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) has a molecular weight of 636.12 g/mol, XLogP of 10.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-ethyl-1H-inden-1-ide;2-ethyl-4-phenyl-1H-naphthalen-1-ide;hexan-2-ylidenesilane;zirconium(4+) is sourced from PubChem (CID 150271054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).