CID 173192459

C30H28Cl2O2SiZr — CID 173192459

IUPAC—
SMILESC[Si]C.Cc1cc2c(-c3ccoc3)cccc2[cH-]1.Cc1cc2c(-c3ccoc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C14H11O.C2H6Si.2ClH.Zr/c2*1-10-7-11-3-2-4-13(14(11)8-10)12-5-6-15-9-12;1-3-2;;;/h2*2-9H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyWLYGXYWIPVEOAR-UHFFFAOYSA-L
MW610.77 g/mol
LogP10.42
Rot. Bonds2

About CID 173192459

CID 173192459 (PubChem CID 173192459) has the molecular formula C30H28Cl2O2SiZr and a molecular weight of 610.77 g/mol.

Molecular Properties

Compound NameCID 173192459
PubChem CID173192459
Molecular FormulaC30H28Cl2O2SiZr
Molecular Weight610.77 g/mol
Exact Mass608.03
IUPAC Name—
SMILESC[Si]C.Cc1cc2c(-c3ccoc3)cccc2[cH-]1.Cc1cc2c(-c3ccoc3)cccc2[cH-]1.Cl[Zr+2]Cl
InChIInChI=1S/2C14H11O.C2H6Si.2ClH.Zr/c2*1-10-7-11-3-2-4-13(14(11)8-10)12-5-6-15-9-12;1-3-2;;;/h2*2-9H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyWLYGXYWIPVEOAR-UHFFFAOYSA-L
XLogP10.42
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.77
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 173192459?
The IUPAC name of CID 173192459 (CID 173192459) is not available.
What is the SMILES notation for CID 173192459?
The canonical SMILES for CID 173192459 is C[Si]C.Cc1cc2c(-c3ccoc3)cccc2[cH-]1.Cc1cc2c(-c3ccoc3)cccc2[cH-]1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192459?
The InChIKey is WLYGXYWIPVEOAR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H11O.C2H6Si.2ClH.Zr/c2*1-10-7-11-3-2-4-13(14(11)8-10)12-5-6-15-9-12;1-3-2;;;/h2*2-9H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192459?
CID 173192459 has a molecular weight of 610.77 g/mol, XLogP of 10.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192459 is sourced from PubChem (CID 173192459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).