CID 173221836

C23H21HfNOSi-2 — CID 173221836

IUPAC—
SMILESCC([NH-])=O.[Hf].c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.C9H7.C2H5NO.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;1-2(3)4;/h1-10H;1-7H;1H3,(H2,3,4);/q;-1;;/p-1
InChIKeyNKTHEDIJHAGMGW-UHFFFAOYSA-M
MW534.00 g/mol
LogP4.48
Rot. Bonds2

About CID 173221836

CID 173221836 (PubChem CID 173221836) has the molecular formula C23H21HfNOSi-2 and a molecular weight of 534.00 g/mol.

Molecular Properties

Compound NameCID 173221836
PubChem CID173221836
Molecular FormulaC23H21HfNOSi-2
Molecular Weight534.00 g/mol
Exact Mass535.09
IUPAC Name—
SMILESCC([NH-])=O.[Hf].c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.C9H7.C2H5NO.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;1-2(3)4;/h1-10H;1-7H;1H3,(H2,3,4);/q;-1;;/p-1
InChIKeyNKTHEDIJHAGMGW-UHFFFAOYSA-M
XLogP4.48
TPSA40.87 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.00
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 173221836?
The IUPAC name of CID 173221836 (CID 173221836) is not available.
What is the SMILES notation for CID 173221836?
The canonical SMILES for CID 173221836 is CC([NH-])=O.[Hf].c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173221836?
The InChIKey is NKTHEDIJHAGMGW-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10Si.C9H7.C2H5NO.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-5-9-7-3-6-8(9)4-1;1-2(3)4;/h1-10H;1-7H;1H3,(H2,3,4);/q;-1;;/p-1.
What are the key properties of CID 173221836?
CID 173221836 has a molecular weight of 534.00 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173221836 is sourced from PubChem (CID 173221836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).