(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane

C25H18F3NO3Si — CID 57036722

IUPAC(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane
SMILESO=[N+]([O-])c1ccccc1CO[Si](c1ccccc1)(c1ccccc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C25H18F3NO3Si/c26-21-15-23(28)25(16-22(21)27)33(19-10-3-1-4-11-19,20-12-5-2-6-13-20)32-17-18-9-7-8-14-24(18)29(30)31/h1-16H,17H2
InChIKeySDUCYHZZBXYCPQ-UHFFFAOYSA-N
MW465.50 g/mol
LogP4.20
Rot. Bonds7

About (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane

(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane (PubChem CID 57036722) has the molecular formula C25H18F3NO3Si and a molecular weight of 465.50 g/mol. Its IUPAC name is (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane.

Molecular Properties

Compound Name(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane
PubChem CID57036722
Molecular FormulaC25H18F3NO3Si
Molecular Weight465.50 g/mol
Exact Mass465.10
IUPAC Name(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane
SMILESO=[N+]([O-])c1ccccc1CO[Si](c1ccccc1)(c1ccccc1)c1cc(F)c(F)cc1F
InChIInChI=1S/C25H18F3NO3Si/c26-21-15-23(28)25(16-22(21)27)33(19-10-3-1-4-11-19,20-12-5-2-6-13-20)32-17-18-9-7-8-14-24(18)29(30)31/h1-16H,17H2
InChIKeySDUCYHZZBXYCPQ-UHFFFAOYSA-N
XLogP4.20
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.50
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
(2-nitrophenyl)methoxy-[(2-nitrophenyl)methoxy-diphenylsilyl]oxy-diphenylsilane
CID 18696391
2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane
CID 57253892
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane
CID 22168290
(2-nitrophenyl)methyl sulfite
CID 89385987
[3,5-difluoro-4-[(2-nitrophenyl)methoxy]phenyl]methanamine
CID 79880994
4-bromo-2-fluoro-1-[(2-nitrophenyl)methoxy]benzene
CID 112788058
1-chloro-2-fluoro-4-[(2-nitrophenyl)methoxy]benzene
CID 82727180
(2-nitrophenyl)methoxymethanamine
CID 175012109
3-fluoro-4-[(2-nitrophenyl)methoxy]benzaldehyde
CID 103850077
2-[(2-nitrophenyl)methoxy]-2-oxoacetic acid
CID 166021267

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane?
The IUPAC name of (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane (CID 57036722) is (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane.
What is the SMILES notation for (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane?
The canonical SMILES for (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane is O=[N+]([O-])c1ccccc1CO[Si](c1ccccc1)(c1ccccc1)c1cc(F)c(F)cc1F.
What is the InChIKey of (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane?
The InChIKey is SDUCYHZZBXYCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3NO3Si/c26-21-15-23(28)25(16-22(21)27)33(19-10-3-1-4-11-19,20-12-5-2-6-13-20)32-17-18-9-7-8-14-24(18)29(30)31/h1-16H,17H2.
What are the key properties of (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane?
(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane has a molecular weight of 465.50 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane is sourced from PubChem (CID 57036722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).