(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane

C25H17F3N2O5Si — CID 22168290

IUPAC(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane
SMILESO=[N+]([O-])c1cccc([N+](=O)[O-])c1CO[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H17F3N2O5Si/c26-17-4-10-20(11-5-17)36(21-12-6-18(27)7-13-21,22-14-8-19(28)9-15-22)35-16-23-24(29(31)32)2-1-3-25(23)30(33)34/h1-15H,16H2
InChIKeyALQSIUMJXWFXFT-UHFFFAOYSA-N
MW510.50 g/mol
LogP4.10
Rot. Bonds8

About (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane

(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane (PubChem CID 22168290) has the molecular formula C25H17F3N2O5Si and a molecular weight of 510.50 g/mol. Its IUPAC name is (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane.

Molecular Properties

Compound Name(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane
PubChem CID22168290
Molecular FormulaC25H17F3N2O5Si
Molecular Weight510.50 g/mol
Exact Mass510.09
IUPAC Name(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane
SMILESO=[N+]([O-])c1cccc([N+](=O)[O-])c1CO[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H17F3N2O5Si/c26-17-4-10-20(11-5-17)36(21-12-6-18(27)7-13-21,22-14-8-19(28)9-15-22)35-16-23-24(29(31)32)2-1-3-25(23)30(33)34/h1-15H,16H2
InChIKeyALQSIUMJXWFXFT-UHFFFAOYSA-N
XLogP4.10
TPSA95.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-fluoroethyl-bis(4-fluorophenyl)-[(2-nitrophenyl)methoxy]silane
CID 57253892
(2,6-dinitrophenyl)methyl 2,3,4,5,6-pentafluorobenzenesulfonate
CID 22708913
2-(fluoromethyl)-1-nitro-3-(trifluoromethoxy)benzene
CID 170837030
(2-nitrophenyl)methoxy-diphenyl-(2,4,5-trifluorophenyl)silane
CID 57036722
1-chloro-2-[(4-fluorophenyl)sulfonylmethyl]-3-nitrobenzene
CID 64717747
(2,6-dinitrophenyl)methyl N-[4-[(2,6-dinitrophenyl)methoxycarbonylamino]phenyl]carbamate
CID 90355387
2-(bromomethyl)-1,3-dinitrobenzene
CID 10848958
(2,6-dinitrophenyl)methyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoate
CID 18381182
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-nitroaniline
CID 59232424
2-(3-bromopropyl)-1-[2-(3-bromopropyl)-3-nitrophenoxy]-3-nitrobenzene
CID 141129742
1,3-dinitro-2-[(4-nitrophenyl)methylperoxymethyl]benzene
CID 57281287
(2,6-dinitrophenyl)methyl 2,3,4,5,6,7,8-heptafluoronaphthalene-1-sulfonate
CID 20671192

Frequently Asked Questions

What is the IUPAC name of (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane?
The IUPAC name of (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane (CID 22168290) is (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane.
What is the SMILES notation for (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane?
The canonical SMILES for (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane is O=[N+]([O-])c1cccc([N+](=O)[O-])c1CO[Si](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane?
The InChIKey is ALQSIUMJXWFXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2O5Si/c26-17-4-10-20(11-5-17)36(21-12-6-18(27)7-13-21,22-14-8-19(28)9-15-22)35-16-23-24(29(31)32)2-1-3-25(23)30(33)34/h1-15H,16H2.
What are the key properties of (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane?
(2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane has a molecular weight of 510.50 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dinitrophenyl)methoxy-tris(4-fluorophenyl)silane is sourced from PubChem (CID 22168290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).