CID 90164634

C24H31BNO2Si2 — CID 90164634

IUPAC—
SMILESC[Si](C)(C)c1ccc(N(c2ccc(O[B]O)cc2)c2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C24H31BNO2Si2/c1-29(2,3)23-15-9-20(10-16-23)26(19-7-13-22(14-8-19)28-25-27)21-11-17-24(18-12-21)30(4,5)6/h7-18,27H,1-6H3
InChIKeySZOJFANBUPGYBG-UHFFFAOYSA-N
MW432.50 g/mol
LogP5.15
Rot. Bonds7

About CID 90164634

CID 90164634 (PubChem CID 90164634) has the molecular formula C24H31BNO2Si2 and a molecular weight of 432.50 g/mol.

Molecular Properties

Compound NameCID 90164634
PubChem CID90164634
Molecular FormulaC24H31BNO2Si2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name—
SMILESC[Si](C)(C)c1ccc(N(c2ccc(O[B]O)cc2)c2ccc([Si](C)(C)C)cc2)cc1
InChIInChI=1S/C24H31BNO2Si2/c1-29(2,3)23-15-9-20(10-16-23)26(19-7-13-22(14-8-19)28-25-27)21-11-17-24(18-12-21)30(4,5)6/h7-18,27H,1-6H3
InChIKeySZOJFANBUPGYBG-UHFFFAOYSA-N
XLogP5.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 90164634?
The IUPAC name of CID 90164634 (CID 90164634) is not available.
What is the SMILES notation for CID 90164634?
The canonical SMILES for CID 90164634 is C[Si](C)(C)c1ccc(N(c2ccc(O[B]O)cc2)c2ccc([Si](C)(C)C)cc2)cc1.
What is the InChIKey of CID 90164634?
The InChIKey is SZOJFANBUPGYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BNO2Si2/c1-29(2,3)23-15-9-20(10-16-23)26(19-7-13-22(14-8-19)28-25-27)21-11-17-24(18-12-21)30(4,5)6/h7-18,27H,1-6H3.
What are the key properties of CID 90164634?
CID 90164634 has a molecular weight of 432.50 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90164634 is sourced from PubChem (CID 90164634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).