CID 19966540

C26H21O4Si — CID 19966540

IUPAC—
SMILES[Si]C(Oc1ccccc1)(Oc1ccccc1)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H21O4Si/c31-26(29-23-17-9-3-10-18-23,30-24-19-11-4-12-20-24)25(27-21-13-5-1-6-14-21)28-22-15-7-2-8-16-22/h1-20,25H
InChIKeyNYJBPGWVADHIAE-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.45
Rot. Bonds9

About CID 19966540

CID 19966540 (PubChem CID 19966540) has the molecular formula C26H21O4Si and a molecular weight of 425.54 g/mol.

Molecular Properties

Compound NameCID 19966540
PubChem CID19966540
Molecular FormulaC26H21O4Si
Molecular Weight425.54 g/mol
Exact Mass425.12
IUPAC Name—
SMILES[Si]C(Oc1ccccc1)(Oc1ccccc1)C(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C26H21O4Si/c31-26(29-23-17-9-3-10-18-23,30-24-19-11-4-12-20-24)25(27-21-13-5-1-6-14-21)28-22-15-7-2-8-16-22/h1-20,25H
InChIKeyNYJBPGWVADHIAE-UHFFFAOYSA-N
XLogP5.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 19966540?
The IUPAC name of CID 19966540 (CID 19966540) is not available.
What is the SMILES notation for CID 19966540?
The canonical SMILES for CID 19966540 is [Si]C(Oc1ccccc1)(Oc1ccccc1)C(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of CID 19966540?
The InChIKey is NYJBPGWVADHIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21O4Si/c31-26(29-23-17-9-3-10-18-23,30-24-19-11-4-12-20-24)25(27-21-13-5-1-6-14-21)28-22-15-7-2-8-16-22/h1-20,25H.
What are the key properties of CID 19966540?
CID 19966540 has a molecular weight of 425.54 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19966540 is sourced from PubChem (CID 19966540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).