CID 173294525

C21H21Cl2SiZr — CID 173294525

IUPAC—
SMILESC[Si]C.Cc1ccc(C2=CC=CC2)c2[cH-]c3ccccc3c12.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C19H15.C2H6Si.2ClH.Zr/c1-13-10-11-16(14-6-2-3-7-14)18-12-15-8-4-5-9-17(15)19(13)18;1-3-2;;;/h2-6,8-12H,7H2,1H3;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyVDJZEMGVPMJXNV-UHFFFAOYSA-L
MW463.62 g/mol
LogP0.16
Rot. Bonds1

About CID 173294525

CID 173294525 (PubChem CID 173294525) has the molecular formula C21H21Cl2SiZr and a molecular weight of 463.62 g/mol.

Molecular Properties

Compound NameCID 173294525
PubChem CID173294525
Molecular FormulaC21H21Cl2SiZr
Molecular Weight463.62 g/mol
Exact Mass460.98
IUPAC Name—
SMILESC[Si]C.Cc1ccc(C2=CC=CC2)c2[cH-]c3ccccc3c12.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C19H15.C2H6Si.2ClH.Zr/c1-13-10-11-16(14-6-2-3-7-14)18-12-15-8-4-5-9-17(15)19(13)18;1-3-2;;;/h2-6,8-12H,7H2,1H3;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyVDJZEMGVPMJXNV-UHFFFAOYSA-L
XLogP0.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 50.16
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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Frequently Asked Questions

What is the IUPAC name of CID 173294525?
The IUPAC name of CID 173294525 (CID 173294525) is not available.
What is the SMILES notation for CID 173294525?
The canonical SMILES for CID 173294525 is C[Si]C.Cc1ccc(C2=CC=CC2)c2[cH-]c3ccccc3c12.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 173294525?
The InChIKey is VDJZEMGVPMJXNV-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H15.C2H6Si.2ClH.Zr/c1-13-10-11-16(14-6-2-3-7-14)18-12-15-8-4-5-9-17(15)19(13)18;1-3-2;;;/h2-6,8-12H,7H2,1H3;1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 173294525?
CID 173294525 has a molecular weight of 463.62 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173294525 is sourced from PubChem (CID 173294525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).