CID 173051764

C21H29AlLiN4OSi — CID 173051764

IUPAC—
SMILESC[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c2cccc(CN)c2)n1.[Al].[H-].[Li+]
InChIInChI=1S/C21H28N4OSi.Al.Li.H/c1-27(2,3)12-11-26-16-25-15-20(18-7-9-23-10-8-18)21(24-25)19-6-4-5-17(13-19)14-22;;;/h4-10,13,15H,11-12,14,16,22H2,1-3H3;;;/q;;+1;-1
InChIKeyOBZYRYAWELPINS-UHFFFAOYSA-N
MW415.50 g/mol
LogP1.12
Rot. Bonds8

About CID 173051764

CID 173051764 (PubChem CID 173051764) has the molecular formula C21H29AlLiN4OSi and a molecular weight of 415.50 g/mol.

Molecular Properties

Compound NameCID 173051764
PubChem CID173051764
Molecular FormulaC21H29AlLiN4OSi
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name—
SMILESC[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c2cccc(CN)c2)n1.[Al].[H-].[Li+]
InChIInChI=1S/C21H28N4OSi.Al.Li.H/c1-27(2,3)12-11-26-16-25-15-20(18-7-9-23-10-8-18)21(24-25)19-6-4-5-17(13-19)14-22;;;/h4-10,13,15H,11-12,14,16,22H2,1-3H3;;;/q;;+1;-1
InChIKeyOBZYRYAWELPINS-UHFFFAOYSA-N
XLogP1.12
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 173051764?
The IUPAC name of CID 173051764 (CID 173051764) is not available.
What is the SMILES notation for CID 173051764?
The canonical SMILES for CID 173051764 is C[Si](C)(C)CCOCn1cc(-c2ccncc2)c(-c2cccc(CN)c2)n1.[Al].[H-].[Li+].
What is the InChIKey of CID 173051764?
The InChIKey is OBZYRYAWELPINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4OSi.Al.Li.H/c1-27(2,3)12-11-26-16-25-15-20(18-7-9-23-10-8-18)21(24-25)19-6-4-5-17(13-19)14-22;;;/h4-10,13,15H,11-12,14,16,22H2,1-3H3;;;/q;;+1;-1.
What are the key properties of CID 173051764?
CID 173051764 has a molecular weight of 415.50 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173051764 is sourced from PubChem (CID 173051764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).