CID 173226501

C40H52Cl2Hf2N2Si2-6 — CID 173226501

IUPAC—
SMILESC[SiH]C.C[SiH]C.[Cl-].[Cl-].[Hf].[Hf].[NH-]C1CCCC1.[NH-]C1CCCC1.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.2C5H10N.2C2H7Si.2ClH.2Hf/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*6-5-3-1-2-4-5;2*1-3-2;;;;/h2*1-5,7-8H,9H2;2*5-6H,1-4H2;2*3H,1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyYAZOJPDCYVGOJX-UHFFFAOYSA-L
MW1044.93 g/mol
LogP5.12
Rot. Bonds

About CID 173226501

CID 173226501 (PubChem CID 173226501) has the molecular formula C40H52Cl2Hf2N2Si2-6 and a molecular weight of 1044.93 g/mol.

Molecular Properties

Compound NameCID 173226501
PubChem CID173226501
Molecular FormulaC40H52Cl2Hf2N2Si2-6
Molecular Weight1044.93 g/mol
Exact Mass1046.20
IUPAC Name—
SMILESC[SiH]C.C[SiH]C.[Cl-].[Cl-].[Hf].[Hf].[NH-]C1CCCC1.[NH-]C1CCCC1.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/2C13H9.2C5H10N.2C2H7Si.2ClH.2Hf/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*6-5-3-1-2-4-5;2*1-3-2;;;;/h2*1-5,7-8H,9H2;2*5-6H,1-4H2;2*3H,1-2H3;2*1H;;/q4*-1;;;;;;/p-2
InChIKeyYAZOJPDCYVGOJX-UHFFFAOYSA-L
XLogP5.12
TPSA47.60 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001044.93
LogP ≤ 55.12
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 173226501?
The IUPAC name of CID 173226501 (CID 173226501) is not available.
What is the SMILES notation for CID 173226501?
The canonical SMILES for CID 173226501 is C[SiH]C.C[SiH]C.[Cl-].[Cl-].[Hf].[Hf].[NH-]C1CCCC1.[NH-]C1CCCC1.[c-]1cccc2c1Cc1ccccc1-2.[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of CID 173226501?
The InChIKey is YAZOJPDCYVGOJX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H9.2C5H10N.2C2H7Si.2ClH.2Hf/c2*1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;2*6-5-3-1-2-4-5;2*1-3-2;;;;/h2*1-5,7-8H,9H2;2*5-6H,1-4H2;2*3H,1-2H3;2*1H;;/q4*-1;;;;;;/p-2.
What are the key properties of CID 173226501?
CID 173226501 has a molecular weight of 1044.93 g/mol, XLogP of 5.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173226501 is sourced from PubChem (CID 173226501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).