CID 173299519

C34H32Cl2SiZr — CID 173299519

IUPAC—
SMILESC[Si]C.Cc1cc2ccccc2[c-]1-c1ccccc1.Cc1cc2ccccc2[c-]1-c1ccccc1.Cl[Zr+2]Cl
InChIInChI=1S/2C16H13.C2H6Si.2ClH.Zr/c2*1-12-11-14-9-5-6-10-15(14)16(12)13-7-3-2-4-8-13;1-3-2;;;/h2*2-11H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJYENPWXWHWVWST-UHFFFAOYSA-L
MW630.85 g/mol
LogP11.23
Rot. Bonds2

About CID 173299519

CID 173299519 (PubChem CID 173299519) has the molecular formula C34H32Cl2SiZr and a molecular weight of 630.85 g/mol.

Molecular Properties

Compound NameCID 173299519
PubChem CID173299519
Molecular FormulaC34H32Cl2SiZr
Molecular Weight630.85 g/mol
Exact Mass628.07
IUPAC Name—
SMILESC[Si]C.Cc1cc2ccccc2[c-]1-c1ccccc1.Cc1cc2ccccc2[c-]1-c1ccccc1.Cl[Zr+2]Cl
InChIInChI=1S/2C16H13.C2H6Si.2ClH.Zr/c2*1-12-11-14-9-5-6-10-15(14)16(12)13-7-3-2-4-8-13;1-3-2;;;/h2*2-11H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyJYENPWXWHWVWST-UHFFFAOYSA-L
XLogP11.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.85
LogP ≤ 511.23
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 173299519?
The IUPAC name of CID 173299519 (CID 173299519) is not available.
What is the SMILES notation for CID 173299519?
The canonical SMILES for CID 173299519 is C[Si]C.Cc1cc2ccccc2[c-]1-c1ccccc1.Cc1cc2ccccc2[c-]1-c1ccccc1.Cl[Zr+2]Cl.
What is the InChIKey of CID 173299519?
The InChIKey is JYENPWXWHWVWST-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H13.C2H6Si.2ClH.Zr/c2*1-12-11-14-9-5-6-10-15(14)16(12)13-7-3-2-4-8-13;1-3-2;;;/h2*2-11H,1H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173299519?
CID 173299519 has a molecular weight of 630.85 g/mol, XLogP of 11.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173299519 is sourced from PubChem (CID 173299519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).