2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol

C33H29N3O2Si — CID 140679665

IUPAC2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol
SMILESCN1C=CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(Oc4ccccc4O)c3)n2)C1
InChIInChI=1S/C33H29N3O2Si/c1-35-22-23-36(25-35)32-20-11-21-33(34-32)39(27-13-4-2-5-14-27,28-15-6-3-7-16-28)29-17-10-12-26(24-29)38-31-19-9-8-18-30(31)37/h2-24,37H,25H2,1H3
InChIKeyMFQSEKQUXUDBMF-UHFFFAOYSA-N
MW527.70 g/mol
LogP4.14
Rot. Bonds7

About 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol

2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol (PubChem CID 140679665) has the molecular formula C33H29N3O2Si and a molecular weight of 527.70 g/mol. Its IUPAC name is 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol.

Molecular Properties

Compound Name2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol
PubChem CID140679665
Molecular FormulaC33H29N3O2Si
Molecular Weight527.70 g/mol
Exact Mass527.20
IUPAC Name2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol
SMILESCN1C=CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(Oc4ccccc4O)c3)n2)C1
InChIInChI=1S/C33H29N3O2Si/c1-35-22-23-36(25-35)32-20-11-21-33(34-32)39(27-13-4-2-5-14-27,28-15-6-3-7-16-28)29-17-10-12-26(24-29)38-31-19-9-8-18-30(31)37/h2-24,37H,25H2,1H3
InChIKeyMFQSEKQUXUDBMF-UHFFFAOYSA-N
XLogP4.14
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.70
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?
The IUPAC name of 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol (CID 140679665) is 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol.
What is the SMILES notation for 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?
The canonical SMILES for 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol is CN1C=CN(c2cccc([Si](c3ccccc3)(c3ccccc3)c3cccc(Oc4ccccc4O)c3)n2)C1.
What is the InChIKey of 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?
The InChIKey is MFQSEKQUXUDBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O2Si/c1-35-22-23-36(25-35)32-20-11-21-33(34-32)39(27-13-4-2-5-14-27,28-15-6-3-7-16-28)29-17-10-12-26(24-29)38-31-19-9-8-18-30(31)37/h2-24,37H,25H2,1H3.
What are the key properties of 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol?
2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol has a molecular weight of 527.70 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(3-methyl-2H-imidazol-1-yl)-2-pyridinyl]-diphenylsilyl]phenoxy]phenol is sourced from PubChem (CID 140679665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).