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

C29H33NOSi — CID 132522230

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine
SMILESCc1ccc(-c2c(-c3ccccc3)c(O[Si](C)(C)C(C)(C)C)c3ccccc3c2N)cc1
InChIInChI=1S/C29H33NOSi/c1-20-16-18-22(19-17-20)25-26(21-12-8-7-9-13-21)28(31-32(5,6)29(2,3)4)24-15-11-10-14-23(24)27(25)30/h7-19H,30H2,1-6H3
InChIKeyFLORBTOUHDDBLV-UHFFFAOYSA-N
MW439.68 g/mol
LogP8.45
Rot. Bonds4

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

4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine (PubChem CID 132522230) has the molecular formula C29H33NOSi and a molecular weight of 439.68 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine
PubChem CID132522230
Molecular FormulaC29H33NOSi
Molecular Weight439.68 g/mol
Exact Mass439.23
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine
SMILESCc1ccc(-c2c(-c3ccccc3)c(O[Si](C)(C)C(C)(C)C)c3ccccc3c2N)cc1
InChIInChI=1S/C29H33NOSi/c1-20-16-18-22(19-17-20)25-26(21-12-8-7-9-13-21)28(31-32(5,6)29(2,3)4)24-15-11-10-14-23(24)27(25)30/h7-19H,30H2,1-6H3
InChIKeyFLORBTOUHDDBLV-UHFFFAOYSA-N
XLogP8.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.68
LogP ≤ 58.45
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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Related Compounds

4-Amino-3-methyl-1-naphthalenol
CID 66524
9,10-Anthraquinone-9-phenylhydrazone
CID 258350
10-Diazonioanthracen-9-olate
CID 4290314
4-[Tert-butyl(dimethyl)silyl]oxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]naphthalen-1-amine
CID 132522222
4-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-3-phenylnaphthalen-1-amine
CID 132522231
4-[Tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-[4-(trifluoromethyl)phenyl]naphthalen-1-amine
CID 132522232
4-[Tert-butyl(dimethyl)silyl]oxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[2-(trifluoromethyl)phenyl]naphthalen-1-amine
CID 154712990
4-[Tert-butyl(dimethyl)silyl]oxy-2-(4-fluorophenyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-amine
CID 154713240
10-Aminoanthracen-9-ol
CID 20719613
2'-Amino-3,3'-dimethyl-[1,1'-binaphthalen]-2-ol
CID 91237493
1(4H)-Naphthalenone, 4-diazo-2-methyl-
CID 12035412
14-Aminononacyclo[14.6.6.65,12.02,15.04,13.06,11.017,22.023,28.029,34]tetratriaconta-2,4(13),6,8,10,14,17,19,21,23,25,27,29,31,33-pentadecaen-3-ol
CID 11612339

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine (CID 132522230) is 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine is Cc1ccc(-c2c(-c3ccccc3)c(O[Si](C)(C)C(C)(C)C)c3ccccc3c2N)cc1.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine?
The InChIKey is FLORBTOUHDDBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33NOSi/c1-20-16-18-22(19-17-20)25-26(21-12-8-7-9-13-21)28(31-32(5,6)29(2,3)4)24-15-11-10-14-23(24)27(25)30/h7-19H,30H2,1-6H3.
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine?
4-[tert-butyl(dimethyl)silyl]oxy-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine has a molecular weight of 439.68 g/mol, XLogP of 8.45, 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-2-(4-methylphenyl)-3-phenylnaphthalen-1-amine is sourced from PubChem (CID 132522230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).