benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone

C31H51N3O4Si3 — CID 102229671

IUPACbenzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(=O)n2nnc3ccccc32)cc(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H51N3O4Si3/c1-29(2,3)39(10,11)36-25-20-22(28(35)34-24-19-17-16-18-23(24)32-33-34)21-26(37-40(12,13)30(4,5)6)27(25)38-41(14,15)31(7,8)9/h16-21H,1-15H3
InChIKeyCNOIXAIQRZMUHA-UHFFFAOYSA-N
MW614.02 g/mol
LogP9.27
Rot. Bonds7

About benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone

benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone (PubChem CID 102229671) has the molecular formula C31H51N3O4Si3 and a molecular weight of 614.02 g/mol. Its IUPAC name is benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone.

Molecular Properties

Compound Namebenzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone
PubChem CID102229671
Molecular FormulaC31H51N3O4Si3
Molecular Weight614.02 g/mol
Exact Mass613.32
IUPAC Namebenzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone
SMILESCC(C)(C)[Si](C)(C)Oc1cc(C(=O)n2nnc3ccccc32)cc(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C31H51N3O4Si3/c1-29(2,3)39(10,11)36-25-20-22(28(35)34-24-19-17-16-18-23(24)32-33-34)21-26(37-40(12,13)30(4,5)6)27(25)38-41(14,15)31(7,8)9/h16-21H,1-15H3
InChIKeyCNOIXAIQRZMUHA-UHFFFAOYSA-N
XLogP9.27
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.02
LogP ≤ 59.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzotriazol-1-yl-(3,5-dichlorophenyl)methanone
CID 146164024
benzotriazol-1-yl-(3-bromo-4-propan-2-yloxyphenyl)methanone
CID 17355156
benzotriazol-1-yl-(2-ethoxyphenyl)methanone
CID 3418628
benzotriazol-1-yl-(5-methylfuran-2-yl)methanone
CID 5166982
benzotriazol-1-yl-[4-(2-phenoxyethoxy)phenyl]methanone
CID 4952668
benzotriazol-1-yl-[4-(2-methylpropoxy)phenyl]methanone
CID 4937009
[2-(benzotriazole-1-carbonyl)-4,6-dibromophenyl] acetate
CID 4636234
(E)-3-amino-2-(benzotriazol-1-yl)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 156773387
benzotriazol-1-yl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 1287646
benzotriazol-1-yl-[4-(diethylamino)phenyl]methanone
CID 690503
3-[tert-butyl(dimethyl)silyl]oxy-4-methylbenzamide
CID 18942782
tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
CID 15399749

Frequently Asked Questions

What is the IUPAC name of benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone?
The IUPAC name of benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone (CID 102229671) is benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone.
What is the SMILES notation for benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone?
The canonical SMILES for benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone is CC(C)(C)[Si](C)(C)Oc1cc(C(=O)n2nnc3ccccc32)cc(O[Si](C)(C)C(C)(C)C)c1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone?
The InChIKey is CNOIXAIQRZMUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N3O4Si3/c1-29(2,3)39(10,11)36-25-20-22(28(35)34-24-19-17-16-18-23(24)32-33-34)21-26(37-40(12,13)30(4,5)6)27(25)38-41(14,15)31(7,8)9/h16-21H,1-15H3.
What are the key properties of benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone?
benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone has a molecular weight of 614.02 g/mol, XLogP of 9.27, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzotriazol-1-yl-[3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]phenyl]methanone is sourced from PubChem (CID 102229671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).