4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine

C29H30F3NOSi — CID 132522232

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine
SMILESCC(C)(C)[Si](C)(C)Oc1c(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)c(N)c2ccccc12
InChIInChI=1S/C29H30F3NOSi/c1-28(2,3)35(4,5)34-27-23-14-10-9-13-22(23)26(33)24(25(27)19-11-7-6-8-12-19)20-15-17-21(18-16-20)29(30,31)32/h6-18H,33H2,1-5H3
InChIKeyKQGJAKRTZGUMNU-UHFFFAOYSA-N
MW493.65 g/mol
LogP9.16
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine

4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine (PubChem CID 132522232) has the molecular formula C29H30F3NOSi and a molecular weight of 493.65 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine
PubChem CID132522232
Molecular FormulaC29H30F3NOSi
Molecular Weight493.65 g/mol
Exact Mass493.20
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine
SMILESCC(C)(C)[Si](C)(C)Oc1c(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)c(N)c2ccccc12
InChIInChI=1S/C29H30F3NOSi/c1-28(2,3)35(4,5)34-27-23-14-10-9-13-22(23)26(33)24(25(27)19-11-7-6-8-12-19)20-15-17-21(18-16-20)29(30,31)32/h6-18H,33H2,1-5H3
InChIKeyKQGJAKRTZGUMNU-UHFFFAOYSA-N
XLogP9.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.65
LogP ≤ 59.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine (CID 132522232) is 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine is CC(C)(C)[Si](C)(C)Oc1c(-c2ccccc2)c(-c2ccc(C(F)(F)F)cc2)c(N)c2ccccc12.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine?
The InChIKey is KQGJAKRTZGUMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3NOSi/c1-28(2,3)35(4,5)34-27-23-14-10-9-13-22(23)26(33)24(25(27)19-11-7-6-8-12-19)20-15-17-21(18-16-20)29(30,31)32/h6-18H,33H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine?
4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine has a molecular weight of 493.65 g/mol, XLogP of 9.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 132522232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).