CID 173294042

C21H21Cl2SiZr — CID 173294042

IUPAC—
SMILESC[Si]C.Cc1ccc2c([cH-]c3ccccc32)c1C1=CC=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C19H15.C2H6Si.2ClH.Zr/c1-13-10-11-17-16-9-5-4-8-15(16)12-18(17)19(13)14-6-2-3-7-14;1-3-2;;;/h2-6,8-12H,7H2,1H3;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyLUOCJTVIVGOCRQ-UHFFFAOYSA-L
MW463.62 g/mol
LogP0.16
Rot. Bonds1

About CID 173294042

CID 173294042 (PubChem CID 173294042) has the molecular formula C21H21Cl2SiZr and a molecular weight of 463.62 g/mol.

Molecular Properties

Compound NameCID 173294042
PubChem CID173294042
Molecular FormulaC21H21Cl2SiZr
Molecular Weight463.62 g/mol
Exact Mass460.98
IUPAC Name—
SMILESC[Si]C.Cc1ccc2c([cH-]c3ccccc32)c1C1=CC=CC1.[Cl-].[Cl-].[Zr+3]
InChIInChI=1S/C19H15.C2H6Si.2ClH.Zr/c1-13-10-11-17-16-9-5-4-8-15(16)12-18(17)19(13)14-6-2-3-7-14;1-3-2;;;/h2-6,8-12H,7H2,1H3;1-2H3;2*1H;/q-1;;;;+3/p-2
InChIKeyLUOCJTVIVGOCRQ-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 173294042?
The IUPAC name of CID 173294042 (CID 173294042) is not available.
What is the SMILES notation for CID 173294042?
The canonical SMILES for CID 173294042 is C[Si]C.Cc1ccc2c([cH-]c3ccccc32)c1C1=CC=CC1.[Cl-].[Cl-].[Zr+3].
What is the InChIKey of CID 173294042?
The InChIKey is LUOCJTVIVGOCRQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H15.C2H6Si.2ClH.Zr/c1-13-10-11-17-16-9-5-4-8-15(16)12-18(17)19(13)14-6-2-3-7-14;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 173294042?
CID 173294042 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 173294042 is sourced from PubChem (CID 173294042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).