CID 173263595

C42H66SiZr2 — CID 173263595

IUPAC—
SMILESC1CC[Si]C1.CCc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.CCc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+3].[Zr+3]
InChIInChI=1S/2C17H23.C4H8Si.4CH3.2Zr/c2*1-6-13-7-15-9-14(11(2)3)10-16(12(4)5)17(15)8-13;1-2-4-5-3-1;;;;;;/h2*7-12H,6H2,1-5H3;1-4H2;4*1H3;;/q2*-1;;4*-1;2*+3
InChIKeyXQOYYFFKIUUUBQ-UHFFFAOYSA-N
MW781.52 g/mol
LogP13.85
Rot. Bonds6

About CID 173263595

CID 173263595 (PubChem CID 173263595) has the molecular formula C42H66SiZr2 and a molecular weight of 781.52 g/mol.

Molecular Properties

Compound NameCID 173263595
PubChem CID173263595
Molecular FormulaC42H66SiZr2
Molecular Weight781.52 g/mol
Exact Mass778.30
IUPAC Name—
SMILESC1CC[Si]C1.CCc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.CCc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+3].[Zr+3]
InChIInChI=1S/2C17H23.C4H8Si.4CH3.2Zr/c2*1-6-13-7-15-9-14(11(2)3)10-16(12(4)5)17(15)8-13;1-2-4-5-3-1;;;;;;/h2*7-12H,6H2,1-5H3;1-4H2;4*1H3;;/q2*-1;;4*-1;2*+3
InChIKeyXQOYYFFKIUUUBQ-UHFFFAOYSA-N
XLogP13.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.52
LogP ≤ 513.85
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

CID 173263867
CID 173263867
CID 174379553
CID 174379553
carbanide;ethene;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide);zirconium(3+)
CID 161496120
CID 173312539
CID 173312539
dimethylsilylidenezirconium(2+);bis(2,4,6-tri(propan-2-yl)-1H-inden-1-ide);dichloride
CID 158166164
CID 87865771
CID 87865771
dichloro(dimethylsilylidene)hafnium;bis(2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide)
CID 173247752
CID 174380723
CID 174380723
ethyl-bis[2,4,6-tri(propan-2-yl)phenyl]silanylium
CID 102529639
CID 173229784
CID 173229784
carbanide;hafnium(4+);2-methyl-3-[2-[2-methyl-5,7-di(propan-2-yl)-3H-inden-3-id-1-yl]ethyl]-4,6-di(propan-2-yl)-1H-inden-1-ide
CID 173263369
dimethylsilylidenezirconium(2+);2-methyl-4,6-di(propan-2-yl)-1H-inden-1-ide;2-methyl-1H-inden-1-ide;dichloride
CID 159142372

Frequently Asked Questions

What is the IUPAC name of CID 173263595?
The IUPAC name of CID 173263595 (CID 173263595) is not available.
What is the SMILES notation for CID 173263595?
The canonical SMILES for CID 173263595 is C1CC[Si]C1.CCc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.CCc1cc2c(C(C)C)cc(C(C)C)cc2[cH-]1.[CH3-].[CH3-].[CH3-].[CH3-].[Zr+3].[Zr+3].
What is the InChIKey of CID 173263595?
The InChIKey is XQOYYFFKIUUUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H23.C4H8Si.4CH3.2Zr/c2*1-6-13-7-15-9-14(11(2)3)10-16(12(4)5)17(15)8-13;1-2-4-5-3-1;;;;;;/h2*7-12H,6H2,1-5H3;1-4H2;4*1H3;;/q2*-1;;4*-1;2*+3.
What are the key properties of CID 173263595?
CID 173263595 has a molecular weight of 781.52 g/mol, XLogP of 13.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173263595 is sourced from PubChem (CID 173263595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).