CID 173308427

C68H64Cl2Hf2Si2-6 — CID 173308427

IUPAC—
SMILESC[Si]C.C[Si]C.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.[Cl-].[Cl-].[Hf].[Hf]
InChIInChI=1S/4C16H13.2C2H6Si.2ClH.2Hf/c4*1-12-9-14-7-8-15(11-16(14)10-12)13-5-3-2-4-6-13;2*1-3-2;;;;/h4*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyZLNPWJVXKIZXAJ-UHFFFAOYSA-L
MW1365.32 g/mol
LogP13.71
Rot. Bonds4

About CID 173308427

CID 173308427 (PubChem CID 173308427) has the molecular formula C68H64Cl2Hf2Si2-6 and a molecular weight of 1365.32 g/mol.

Molecular Properties

Compound NameCID 173308427
PubChem CID173308427
Molecular FormulaC68H64Cl2Hf2Si2-6
Molecular Weight1365.32 g/mol
Exact Mass1366.29
IUPAC Name—
SMILESC[Si]C.C[Si]C.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.[Cl-].[Cl-].[Hf].[Hf]
InChIInChI=1S/4C16H13.2C2H6Si.2ClH.2Hf/c4*1-12-9-14-7-8-15(11-16(14)10-12)13-5-3-2-4-6-13;2*1-3-2;;;;/h4*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyZLNPWJVXKIZXAJ-UHFFFAOYSA-L
XLogP13.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001365.32
LogP ≤ 513.71
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 173308427?
The IUPAC name of CID 173308427 (CID 173308427) is not available.
What is the SMILES notation for CID 173308427?
The canonical SMILES for CID 173308427 is C[Si]C.C[Si]C.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.Cc1cc2cc(-c3ccccc3)ccc2[cH-]1.[Cl-].[Cl-].[Hf].[Hf].
What is the InChIKey of CID 173308427?
The InChIKey is ZLNPWJVXKIZXAJ-UHFFFAOYSA-L. The full InChI is InChI=1S/4C16H13.2C2H6Si.2ClH.2Hf/c4*1-12-9-14-7-8-15(11-16(14)10-12)13-5-3-2-4-6-13;2*1-3-2;;;;/h4*2-11H,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2.
What are the key properties of CID 173308427?
CID 173308427 has a molecular weight of 1365.32 g/mol, XLogP of 13.71, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173308427 is sourced from PubChem (CID 173308427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).