CID 136857420

C22H19N2OSi — CID 136857420

IUPAC—
SMILESC[Si](C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H19N2OSi/c1-26(2)20-14-12-19(13-15-20)22-24-23-21(25-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyXQASXWZXYZRLNS-UHFFFAOYSA-N
MW355.49 g/mol
LogP5.03
Rot. Bonds4

About CID 136857420

CID 136857420 (PubChem CID 136857420) has the molecular formula C22H19N2OSi and a molecular weight of 355.49 g/mol.

Molecular Properties

Compound NameCID 136857420
PubChem CID136857420
Molecular FormulaC22H19N2OSi
Molecular Weight355.49 g/mol
Exact Mass355.13
IUPAC Name—
SMILESC[Si](C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1
InChIInChI=1S/C22H19N2OSi/c1-26(2)20-14-12-19(13-15-20)22-24-23-21(25-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyXQASXWZXYZRLNS-UHFFFAOYSA-N
XLogP5.03
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.49
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-(4-ethenylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 59816346
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
CID 132584993
2-(4-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 15868581
2-[4-(4-butan-2-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 23522274
2-(4-phenylphenyl)-5-[4-[4-[5-(4-phenylphenyl)-1,3,4-oxadiazol-2-yl]cyclohexa-1,3-dien-1-yl]phenyl]-1,3,4-oxadiazole
CID 71175422
2-phenyl-5-(6-phenyl-2-pyridinyl)-1,3,4-oxadiazole
CID 59236801
2-(3-iodophenyl)-5-phenyl-1,3,4-oxadiazole
CID 749918
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 59228387

Frequently Asked Questions

What is the IUPAC name of CID 136857420?
The IUPAC name of CID 136857420 (CID 136857420) is not available.
What is the SMILES notation for CID 136857420?
The canonical SMILES for CID 136857420 is C[Si](C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.
What is the InChIKey of CID 136857420?
The InChIKey is XQASXWZXYZRLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N2OSi/c1-26(2)20-14-12-19(13-15-20)22-24-23-21(25-22)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3.
What are the key properties of CID 136857420?
CID 136857420 has a molecular weight of 355.49 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136857420 is sourced from PubChem (CID 136857420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).