CID 160751705

C40H42Cl2Hf2Si2-6 — CID 160751705

IUPAC—
SMILESC[SiH]C.C[SiH]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C2H7Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h4*1-7H;2*3H,1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyMPQQJUOYNWHPJN-UHFFFAOYSA-L
MW1006.83 g/mol
LogP5.28
Rot. Bonds

About CID 160751705

CID 160751705 (PubChem CID 160751705) has the molecular formula C40H42Cl2Hf2Si2-6 and a molecular weight of 1006.83 g/mol.

Molecular Properties

Compound NameCID 160751705
PubChem CID160751705
Molecular FormulaC40H42Cl2Hf2Si2-6
Molecular Weight1006.83 g/mol
Exact Mass1008.12
IUPAC Name—
SMILESC[SiH]C.C[SiH]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/4C9H7.2C2H7Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h4*1-7H;2*3H,1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyMPQQJUOYNWHPJN-UHFFFAOYSA-L
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001006.83
LogP ≤ 55.28
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 160751705?
The IUPAC name of CID 160751705 (CID 160751705) is not available.
What is the SMILES notation for CID 160751705?
The canonical SMILES for CID 160751705 is C[SiH]C.C[SiH]C.[Cl-].[Cl-].[Hf].[Hf].c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 160751705?
The InChIKey is MPQQJUOYNWHPJN-UHFFFAOYSA-L. The full InChI is InChI=1S/4C9H7.2C2H7Si.2ClH.2Hf/c4*1-2-5-9-7-3-6-8(9)4-1;2*1-3-2;;;;/h4*1-7H;2*3H,1-2H3;2*1H;;/q4*-1;;;;;;/p-2.
What are the key properties of CID 160751705?
CID 160751705 has a molecular weight of 1006.83 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160751705 is sourced from PubChem (CID 160751705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).