(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane

C38H32N2O7Si2 — CID 18696391

IUPAC(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
SMILESO=[N+]([O-])c1ccccc1CO[Si](O[Si](OCc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H32N2O7Si2/c41-39(42)37-27-15-13-17-31(37)29-45-48(33-19-5-1-6-20-33,34-21-7-2-8-22-34)47-49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)46-30-32-18-14-16-28-38(32)40(43)44/h1-28H,29-30H2
InChIKeyWCQFUPSNZLXHHV-UHFFFAOYSA-N
MW684.85 g/mol
LogP5.77
Rot. Bonds14

About (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane

(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane (PubChem CID 18696391) has the molecular formula C38H32N2O7Si2 and a molecular weight of 684.85 g/mol. Its IUPAC name is (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane.

Molecular Properties

Compound Name(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
PubChem CID18696391
Molecular FormulaC38H32N2O7Si2
Molecular Weight684.85 g/mol
Exact Mass684.17
IUPAC Name(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
SMILESO=[N+]([O-])c1ccccc1CO[Si](O[Si](OCc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C38H32N2O7Si2/c41-39(42)37-27-15-13-17-31(37)29-45-48(33-19-5-1-6-20-33,34-21-7-2-8-22-34)47-49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)46-30-32-18-14-16-28-38(32)40(43)44/h1-28H,29-30H2
InChIKeyWCQFUPSNZLXHHV-UHFFFAOYSA-N
XLogP5.77
TPSA113.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.85
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
(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
CID 70518254
CID 70518254

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane?
The IUPAC name of (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane (CID 18696391) is (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane.
What is the SMILES notation for (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane?
The canonical SMILES for (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane is O=[N+]([O-])c1ccccc1CO[Si](O[Si](OCc1ccccc1[N+](=O)[O-])(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane?
The InChIKey is WCQFUPSNZLXHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H32N2O7Si2/c41-39(42)37-27-15-13-17-31(37)29-45-48(33-19-5-1-6-20-33,34-21-7-2-8-22-34)47-49(35-23-9-3-10-24-35,36-25-11-4-12-26-36)46-30-32-18-14-16-28-38(32)40(43)44/h1-28H,29-30H2.
What are the key properties of (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane?
(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane has a molecular weight of 684.85 g/mol, XLogP of 5.77, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane is sourced from PubChem (CID 18696391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).