CID 173226288

C42H54Cl2Hf2N2Si2-6 — CID 173226288

IUPAC—
SMILESCC(C)(C)c1cccc([NH-])c1.CC(C)(C)c1cccc([NH-])c1.C[Si]C.C[Si]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C10H14N.2C9H7.2C2H6Si.2ClH.2Hf/c2*1-10(2,3)8-5-4-6-9(11)7-8;2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h2*4-7,11H,1-3H3;2*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyCJGMIODMNZNEIA-UHFFFAOYSA-L
MW1070.97 g/mol
LogP8.03
Rot. Bonds

About CID 173226288

CID 173226288 (PubChem CID 173226288) has the molecular formula C42H54Cl2Hf2N2Si2-6 and a molecular weight of 1070.97 g/mol.

Molecular Properties

Compound NameCID 173226288
PubChem CID173226288
Molecular FormulaC42H54Cl2Hf2N2Si2-6
Molecular Weight1070.97 g/mol
Exact Mass1072.22
IUPAC Name—
SMILESCC(C)(C)c1cccc([NH-])c1.CC(C)(C)c1cccc([NH-])c1.C[Si]C.C[Si]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/2C10H14N.2C9H7.2C2H6Si.2ClH.2Hf/c2*1-10(2,3)8-5-4-6-9(11)7-8;2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h2*4-7,11H,1-3H3;2*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyCJGMIODMNZNEIA-UHFFFAOYSA-L
XLogP8.03
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001070.97
LogP ≤ 58.03
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 173226288?
The IUPAC name of CID 173226288 (CID 173226288) is not available.
What is the SMILES notation for CID 173226288?
The canonical SMILES for CID 173226288 is CC(C)(C)c1cccc([NH-])c1.CC(C)(C)c1cccc([NH-])c1.C[Si]C.C[Si]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173226288?
The InChIKey is CJGMIODMNZNEIA-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H14N.2C9H7.2C2H6Si.2ClH.2Hf/c2*1-10(2,3)8-5-4-6-9(11)7-8;2*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h2*4-7,11H,1-3H3;2*1-7H;2*1-2H3;2*1H;;/q4*-1;;;;;;/p-2.
What are the key properties of CID 173226288?
CID 173226288 has a molecular weight of 1070.97 g/mol, XLogP of 8.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173226288 is sourced from PubChem (CID 173226288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).