CID 173124092

C38H40Cl2SiZr — CID 173124092

IUPAC—
SMILESC[Si]C.Cc1cc(-c2ccccc2)c2cc(C)[cH-]c2c1.Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.Cl[Zr+2]Cl
InChIInChI=1S/C19H19.C17H15.C2H6Si.2ClH.Zr/c1-13(2)16-11-15-8-6-10-18(19(15)12-16)17-9-5-4-7-14(17)3;1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14;1-3-2;;;/h4-13H,1-3H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyLFIDZUMGEHCFSL-UHFFFAOYSA-L
MW686.95 g/mol
LogP12.66
Rot. Bonds3

About CID 173124092

CID 173124092 (PubChem CID 173124092) has the molecular formula C38H40Cl2SiZr and a molecular weight of 686.95 g/mol.

Molecular Properties

Compound NameCID 173124092
PubChem CID173124092
Molecular FormulaC38H40Cl2SiZr
Molecular Weight686.95 g/mol
Exact Mass684.13
IUPAC Name—
SMILESC[Si]C.Cc1cc(-c2ccccc2)c2cc(C)[cH-]c2c1.Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.Cl[Zr+2]Cl
InChIInChI=1S/C19H19.C17H15.C2H6Si.2ClH.Zr/c1-13(2)16-11-15-8-6-10-18(19(15)12-16)17-9-5-4-7-14(17)3;1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14;1-3-2;;;/h4-13H,1-3H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyLFIDZUMGEHCFSL-UHFFFAOYSA-L
XLogP12.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.95
LogP ≤ 512.66
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

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lithium 6-methyl-4-phenyl-2-propan-2-yl-1H-inden-1-ide
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dichlorozirconium;4-(2-phenylphenyl)-2-propan-2-yl-1H-inden-1-ide
CID 87824056
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CID 173063837
4-(4-tert-butylphenyl)-2,6-dimethyl-1H-inden-1-ide;4-(2,5-dimethylphenyl)-2-propan-2-yl-1H-inden-1-ide;dimethylsilylidenezirconium(2+);dichloride
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CID 173124274
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CID 87905860
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CID 173003570
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Frequently Asked Questions

What is the IUPAC name of CID 173124092?
The IUPAC name of CID 173124092 (CID 173124092) is not available.
What is the SMILES notation for CID 173124092?
The canonical SMILES for CID 173124092 is C[Si]C.Cc1cc(-c2ccccc2)c2cc(C)[cH-]c2c1.Cc1ccccc1-c1cccc2[cH-]c(C(C)C)cc12.Cl[Zr+2]Cl.
What is the InChIKey of CID 173124092?
The InChIKey is LFIDZUMGEHCFSL-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H19.C17H15.C2H6Si.2ClH.Zr/c1-13(2)16-11-15-8-6-10-18(19(15)12-16)17-9-5-4-7-14(17)3;1-12-8-15-9-13(2)11-17(15)16(10-12)14-6-4-3-5-7-14;1-3-2;;;/h4-13H,1-3H3;3-11H,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173124092?
CID 173124092 has a molecular weight of 686.95 g/mol, XLogP of 12.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173124092 is sourced from PubChem (CID 173124092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).