CID 173267567

C42H34HfSi — CID 173267567

IUPAC—
SMILES[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.2C9H7.2C6H5.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;/h1-10H;2*1-7H;2*1-5H;/q;4*-1;+4
InChIKeyIHCNGOXJLNNLGJ-UHFFFAOYSA-N
MW745.31 g/mol
LogP9.43
Rot. Bonds2

About CID 173267567

CID 173267567 (PubChem CID 173267567) has the molecular formula C42H34HfSi and a molecular weight of 745.31 g/mol.

Molecular Properties

Compound NameCID 173267567
PubChem CID173267567
Molecular FormulaC42H34HfSi
Molecular Weight745.31 g/mol
Exact Mass746.19
IUPAC Name—
SMILES[Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C12H10Si.2C9H7.2C6H5.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;/h1-10H;2*1-7H;2*1-5H;/q;4*-1;+4
InChIKeyIHCNGOXJLNNLGJ-UHFFFAOYSA-N
XLogP9.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.31
LogP ≤ 59.43
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 173267567?
The IUPAC name of CID 173267567 (CID 173267567) is not available.
What is the SMILES notation for CID 173267567?
The canonical SMILES for CID 173267567 is [Hf+4].[c-]1ccccc1.[c-]1ccccc1.c1ccc([Si]c2ccccc2)cc1.c1ccc2[cH-]ccc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of CID 173267567?
The InChIKey is IHCNGOXJLNNLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Si.2C9H7.2C6H5.Hf/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-6-5-3-1;/h1-10H;2*1-7H;2*1-5H;/q;4*-1;+4.
What are the key properties of CID 173267567?
CID 173267567 has a molecular weight of 745.31 g/mol, XLogP of 9.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173267567 is sourced from PubChem (CID 173267567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).