CID 173192432

C40H44Cl2SiZr — CID 173192432

IUPAC—
SMILESCCc1cc2c(-c3ccccc3CC)cccc2[cH-]1.CCc1cc2c(-c3ccccc3CC)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C19H19.C2H6Si.2ClH.Zr/c2*1-3-14-12-16-9-7-11-18(19(16)13-14)17-10-6-5-8-15(17)4-2;1-3-2;;;/h2*5-13H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyHUVDOVDIHNOXQX-UHFFFAOYSA-L
MW715.01 g/mol
LogP12.86
Rot. Bonds6

About CID 173192432

CID 173192432 (PubChem CID 173192432) has the molecular formula C40H44Cl2SiZr and a molecular weight of 715.01 g/mol.

Molecular Properties

Compound NameCID 173192432
PubChem CID173192432
Molecular FormulaC40H44Cl2SiZr
Molecular Weight715.01 g/mol
Exact Mass712.16
IUPAC Name—
SMILESCCc1cc2c(-c3ccccc3CC)cccc2[cH-]1.CCc1cc2c(-c3ccccc3CC)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl
InChIInChI=1S/2C19H19.C2H6Si.2ClH.Zr/c2*1-3-14-12-16-9-7-11-18(19(16)13-14)17-10-6-5-8-15(17)4-2;1-3-2;;;/h2*5-13H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2
InChIKeyHUVDOVDIHNOXQX-UHFFFAOYSA-L
XLogP12.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.01
LogP ≤ 512.86
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 173192432?
The IUPAC name of CID 173192432 (CID 173192432) is not available.
What is the SMILES notation for CID 173192432?
The canonical SMILES for CID 173192432 is CCc1cc2c(-c3ccccc3CC)cccc2[cH-]1.CCc1cc2c(-c3ccccc3CC)cccc2[cH-]1.C[Si]C.Cl[Zr+2]Cl.
What is the InChIKey of CID 173192432?
The InChIKey is HUVDOVDIHNOXQX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C19H19.C2H6Si.2ClH.Zr/c2*1-3-14-12-16-9-7-11-18(19(16)13-14)17-10-6-5-8-15(17)4-2;1-3-2;;;/h2*5-13H,3-4H2,1-2H3;1-2H3;2*1H;/q2*-1;;;;+4/p-2.
What are the key properties of CID 173192432?
CID 173192432 has a molecular weight of 715.01 g/mol, XLogP of 12.86, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173192432 is sourced from PubChem (CID 173192432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).