CID 173294422

C22H23Cl2SiZr — CID 173294422

IUPAC—
SMILESC[Si]C.Cc1cc2c([cH-]c3ccccc32)c(C2=CC=CC2)c1C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C20H17.C2H6Si.2ClH.Zr/c1-13-11-18-17-10-6-5-9-16(17)12-19(18)20(14(13)2)15-7-3-4-8-15;1-3-2;;;/h3-7,9-12H,8H2,1-2H3;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyDERNXWWBOOIZMS-UHFFFAOYSA-L
MW477.64 g/mol
LogP0.46
Rot. Bonds1

About CID 173294422

CID 173294422 (PubChem CID 173294422) has the molecular formula C22H23Cl2SiZr and a molecular weight of 477.64 g/mol.

Molecular Properties

Compound NameCID 173294422
PubChem CID173294422
Molecular FormulaC22H23Cl2SiZr
Molecular Weight477.64 g/mol
Exact Mass475.00
IUPAC Name—
SMILESC[Si]C.Cc1cc2c([cH-]c3ccccc32)c(C2=CC=CC2)c1C.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C20H17.C2H6Si.2ClH.Zr/c1-13-11-18-17-10-6-5-9-16(17)12-19(18)20(14(13)2)15-7-3-4-8-15;1-3-2;;;/h3-7,9-12H,8H2,1-2H3;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyDERNXWWBOOIZMS-UHFFFAOYSA-L
XLogP0.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.64
LogP ≤ 50.46
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 173294422?
The IUPAC name of CID 173294422 (CID 173294422) is not available.
What is the SMILES notation for CID 173294422?
The canonical SMILES for CID 173294422 is C[Si]C.Cc1cc2c([cH-]c3ccccc32)c(C2=CC=CC2)c1C.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 173294422?
The InChIKey is DERNXWWBOOIZMS-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H17.C2H6Si.2ClH.Zr/c1-13-11-18-17-10-6-5-9-16(17)12-19(18)20(14(13)2)15-7-3-4-8-15;1-3-2;;;/h3-7,9-12H,8H2,1-2H3;1-2H3;2*1H;/q-1;;;;+3/p-2.
What are the key properties of CID 173294422?
CID 173294422 has a molecular weight of 477.64 g/mol, XLogP of 0.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173294422 is sourced from PubChem (CID 173294422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).