bis[(2-nitrophenyl)methoxy]-diphenylsilane

C26H22N2O6Si — CID 22342274

IUPACbis[(2-nitrophenyl)methoxy]-diphenylsilane
SMILESO=[N+]([O-])c1ccccc1CO[Si](OCc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O6Si/c29-27(30)25-17-9-7-11-21(25)19-33-35(23-13-3-1-4-14-23,24-15-5-2-6-16-24)34-20-22-12-8-10-18-26(22)28(31)32/h1-18H,19-20H2
InChIKeyMBDLGUDVRZFUSF-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.49
Rot. Bonds10

About bis[(2-nitrophenyl)methoxy]-diphenylsilane

bis[(2-nitrophenyl)methoxy]-diphenylsilane (PubChem CID 22342274) has the molecular formula C26H22N2O6Si and a molecular weight of 486.56 g/mol. Its IUPAC name is bis[(2-nitrophenyl)methoxy]-diphenylsilane.

Molecular Properties

Compound Namebis[(2-nitrophenyl)methoxy]-diphenylsilane
PubChem CID22342274
Molecular FormulaC26H22N2O6Si
Molecular Weight486.56 g/mol
Exact Mass486.12
IUPAC Namebis[(2-nitrophenyl)methoxy]-diphenylsilane
SMILESO=[N+]([O-])c1ccccc1CO[Si](OCc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22N2O6Si/c29-27(30)25-17-9-7-11-21(25)19-33-35(23-13-3-1-4-14-23,24-15-5-2-6-16-24)34-20-22-12-8-10-18-26(22)28(31)32/h1-18H,19-20H2
InChIKeyMBDLGUDVRZFUSF-UHFFFAOYSA-N
XLogP4.49
TPSA104.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
CID 18696391
(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane
CID 57036722
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane
CID 57253892
(2-nitrophenyl)methoxymethanamine
CID 175012109
(2-nitrophenyl)methyl 2,2-dihydroxyacetate
CID 70483540
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267
(2-nitrophenyl)methyl carbamate
CID 21490181
(2-nitrophenyl)methyl sulfite
CID 89385987
(2-nitrophenyl)methyl benzenesulfonate
CID 22556387
1-(cyclobutyloxymethyl)-2-nitrobenzene
CID 122651688
(2-nitrophenyl)methyl dihydrogen phosphate
CID 54116745

Frequently Asked Questions

What is the IUPAC name of bis[(2-nitrophenyl)methoxy]-diphenylsilane?
The IUPAC name of bis[(2-nitrophenyl)methoxy]-diphenylsilane (CID 22342274) is bis[(2-nitrophenyl)methoxy]-diphenylsilane.
What is the SMILES notation for bis[(2-nitrophenyl)methoxy]-diphenylsilane?
The canonical SMILES for bis[(2-nitrophenyl)methoxy]-diphenylsilane is O=[N+]([O-])c1ccccc1CO[Si](OCc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1.
What is the InChIKey of bis[(2-nitrophenyl)methoxy]-diphenylsilane?
The InChIKey is MBDLGUDVRZFUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O6Si/c29-27(30)25-17-9-7-11-21(25)19-33-35(23-13-3-1-4-14-23,24-15-5-2-6-16-24)34-20-22-12-8-10-18-26(22)28(31)32/h1-18H,19-20H2.
What are the key properties of bis[(2-nitrophenyl)methoxy]-diphenylsilane?
bis[(2-nitrophenyl)methoxy]-diphenylsilane has a molecular weight of 486.56 g/mol, XLogP of 4.49, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-nitrophenyl)methoxy]-diphenylsilane is sourced from PubChem (CID 22342274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).