CID 68512721

C22H26N4O2Si2 — CID 68512721

IUPAC—
SMILESC[Si]OC(O[Si]C)C(C)(C)CCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21
InChIInChI=1S/C22H26N4O2Si2/c1-22(2,21(27-29-3)28-30-4)9-12-26-14-16(15-7-5-6-8-19(15)26)17-13-18-20(25-17)24-11-10-23-18/h5-8,10-11,13-14,21H,9,12H2,1-4H3,(H,24,25)
InChIKeyHSLHMKJAODYGRU-UHFFFAOYSA-N
MW434.65 g/mol
LogP4.69
Rot. Bonds9

About CID 68512721

CID 68512721 (PubChem CID 68512721) has the molecular formula C22H26N4O2Si2 and a molecular weight of 434.65 g/mol.

Molecular Properties

Compound NameCID 68512721
PubChem CID68512721
Molecular FormulaC22H26N4O2Si2
Molecular Weight434.65 g/mol
Exact Mass434.16
IUPAC Name—
SMILESC[Si]OC(O[Si]C)C(C)(C)CCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21
InChIInChI=1S/C22H26N4O2Si2/c1-22(2,21(27-29-3)28-30-4)9-12-26-14-16(15-7-5-6-8-19(15)26)17-13-18-20(25-17)24-11-10-23-18/h5-8,10-11,13-14,21H,9,12H2,1-4H3,(H,24,25)
InChIKeyHSLHMKJAODYGRU-UHFFFAOYSA-N
XLogP4.69
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.65
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 68512721?
The IUPAC name of CID 68512721 (CID 68512721) is not available.
What is the SMILES notation for CID 68512721?
The canonical SMILES for CID 68512721 is C[Si]OC(O[Si]C)C(C)(C)CCn1cc(-c2cc3nccnc3[nH]2)c2ccccc21.
What is the InChIKey of CID 68512721?
The InChIKey is HSLHMKJAODYGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2Si2/c1-22(2,21(27-29-3)28-30-4)9-12-26-14-16(15-7-5-6-8-19(15)26)17-13-18-20(25-17)24-11-10-23-18/h5-8,10-11,13-14,21H,9,12H2,1-4H3,(H,24,25).
What are the key properties of CID 68512721?
CID 68512721 has a molecular weight of 434.65 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68512721 is sourced from PubChem (CID 68512721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).