CID 173178220

C58H64Cl2SiZr — CID 173178220

IUPAC—
SMILESCC(C)Cc1cc2c(-c3ccccc3C(C)C)c(-c3ccccc3)ccc2[cH-]1.CC(C)Cc1cc2c(-c3ccccc3C(C)C)c(-c3ccccc3)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C28H29.C2H6Si.2ClH.Zr/c2*1-19(2)16-21-17-23-14-15-25(22-10-6-5-7-11-22)28(27(23)18-21)26-13-9-8-12-24(26)20(3)4;1-3-2;;;/h2*5-15,17-20H,16H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUSLVCHGEZRWTHL-UHFFFAOYSA-L
MW951.37 g/mol
LogP18.59
Rot. Bonds10

About CID 173178220

CID 173178220 (PubChem CID 173178220) has the molecular formula C58H64Cl2SiZr and a molecular weight of 951.37 g/mol.

Molecular Properties

Compound NameCID 173178220
PubChem CID173178220
Molecular FormulaC58H64Cl2SiZr
Molecular Weight951.37 g/mol
Exact Mass948.32
IUPAC Name—
SMILESCC(C)Cc1cc2c(-c3ccccc3C(C)C)c(-c3ccccc3)ccc2[cH-]1.CC(C)Cc1cc2c(-c3ccccc3C(C)C)c(-c3ccccc3)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C28H29.C2H6Si.2ClH.Zr/c2*1-19(2)16-21-17-23-14-15-25(22-10-6-5-7-11-22)28(27(23)18-21)26-13-9-8-12-24(26)20(3)4;1-3-2;;;/h2*5-15,17-20H,16H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyUSLVCHGEZRWTHL-UHFFFAOYSA-L
XLogP18.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500951.37
LogP ≤ 518.59
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

dichlorozirconium;4-(2-methylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
CID 87883986
dichlorozirconium;4-(2-ethylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide
CID 87883915
4-(3,5-ditert-butylphenyl)-2-(2-methylpropyl)-5-phenyl-1H-inden-1-ide;dichlorozirconium
CID 87865080
CID 173178397
CID 173178397
CID 173178124
CID 173178124
CID 173177906
CID 173177906
CID 173178860
CID 173178860
CID 173178428
CID 173178428
CID 173178223
CID 173178223
CID 173178098
CID 173178098
CID 173178839
CID 173178839
CID 87866303
CID 87866303

Frequently Asked Questions

What is the IUPAC name of CID 173178220?
The IUPAC name of CID 173178220 (CID 173178220) is not available.
What is the SMILES notation for CID 173178220?
The canonical SMILES for CID 173178220 is CC(C)Cc1cc2c(-c3ccccc3C(C)C)c(-c3ccccc3)ccc2[cH-]1.CC(C)Cc1cc2c(-c3ccccc3C(C)C)c(-c3ccccc3)ccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173178220?
The InChIKey is USLVCHGEZRWTHL-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H29.C2H6Si.2ClH.Zr/c2*1-19(2)16-21-17-23-14-15-25(22-10-6-5-7-11-22)28(27(23)18-21)26-13-9-8-12-24(26)20(3)4;1-3-2;;;/h2*5-15,17-20H,16H2,1-4H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173178220?
CID 173178220 has a molecular weight of 951.37 g/mol, XLogP of 18.59, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173178220 is sourced from PubChem (CID 173178220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).