4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine

C28H29Cl2NOSi — CID 134959606

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine
SMILESCC(C)(C)[Si](C)(C)Oc1c(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)c(N)c2ccccc12
InChIInChI=1S/C28H29Cl2NOSi/c1-28(2,3)33(4,5)32-27-23-14-10-9-13-22(23)26(31)24(18-11-7-6-8-12-18)25(27)19-15-20(29)17-21(30)16-19/h6-17H,31H2,1-5H3
InChIKeyLIHIIOCKYINRDG-UHFFFAOYSA-N
MW494.54 g/mol
LogP9.45
Rot. Bonds4

About 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine

4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine (PubChem CID 134959606) has the molecular formula C28H29Cl2NOSi and a molecular weight of 494.54 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine
PubChem CID134959606
Molecular FormulaC28H29Cl2NOSi
Molecular Weight494.54 g/mol
Exact Mass493.14
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine
SMILESCC(C)(C)[Si](C)(C)Oc1c(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)c(N)c2ccccc12
InChIInChI=1S/C28H29Cl2NOSi/c1-28(2,3)33(4,5)32-27-23-14-10-9-13-22(23)26(31)24(18-11-7-6-8-12-18)25(27)19-15-20(29)17-21(30)16-19/h6-17H,31H2,1-5H3
InChIKeyLIHIIOCKYINRDG-UHFFFAOYSA-N
XLogP9.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.54
LogP ≤ 59.45
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-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine (CID 134959606) is 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine is CC(C)(C)[Si](C)(C)Oc1c(-c2cc(Cl)cc(Cl)c2)c(-c2ccccc2)c(N)c2ccccc12.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine?
The InChIKey is LIHIIOCKYINRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29Cl2NOSi/c1-28(2,3)33(4,5)32-27-23-14-10-9-13-22(23)26(31)24(18-11-7-6-8-12-18)25(27)19-15-20(29)17-21(30)16-19/h6-17H,31H2,1-5H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine?
4-[tert-butyl(dimethyl)silyl]oxy-3-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine has a molecular weight of 494.54 g/mol, XLogP of 9.45, 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-(3,5-dichlorophenyl)-2-phenylnaphthalen-1-amine is sourced from PubChem (CID 134959606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).