2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol

C47H51N3O2 — CID 154622742

IUPAC2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol
SMILESCCn1c(-c2cc(C)cc(C(C)(C)C)c2O)c(-c2cccc(-c3c(-c4cc(C)cc(C(C)(C)C)c4O)n(CC)c4ccccc34)n2)c2ccccc21
InChIInChI=1S/C47H51N3O2/c1-11-49-38-22-15-13-18-30(38)40(42(49)32-24-28(3)26-34(44(32)51)46(5,6)7)36-20-17-21-37(48-36)41-31-19-14-16-23-39(31)50(12-2)43(41)33-25-29(4)27-35(45(33)52)47(8,9)10/h13-27,51-52H,11-12H2,1-10H3
InChIKeyUGIHFXLZLWXWBF-UHFFFAOYSA-N
MW689.94 g/mol
LogP12.32
Rot. Bonds6

About 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol

2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol (PubChem CID 154622742) has the molecular formula C47H51N3O2 and a molecular weight of 689.94 g/mol. Its IUPAC name is 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol
PubChem CID154622742
Molecular FormulaC47H51N3O2
Molecular Weight689.94 g/mol
Exact Mass689.40
IUPAC Name2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol
SMILESCCn1c(-c2cc(C)cc(C(C)(C)C)c2O)c(-c2cccc(-c3c(-c4cc(C)cc(C(C)(C)C)c4O)n(CC)c4ccccc34)n2)c2ccccc21
InChIInChI=1S/C47H51N3O2/c1-11-49-38-22-15-13-18-30(38)40(42(49)32-24-28(3)26-34(44(32)51)46(5,6)7)36-20-17-21-37(48-36)41-31-19-14-16-23-39(31)50(12-2)43(41)33-25-29(4)27-35(45(33)52)47(8,9)10/h13-27,51-52H,11-12H2,1-10H3
InChIKeyUGIHFXLZLWXWBF-UHFFFAOYSA-N
XLogP12.32
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.94
LogP ≤ 512.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methylphenol;carbanide;hafnium
CID 154622745
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-phenylindol-3-yl]-2-pyridinyl]-1-phenylindol-2-yl]-4-methylphenol
CID 154622756
2-[3-[6-[2-(2-hydroxy-5-methyl-3-phenylphenyl)-1-propylindol-3-yl]-2-pyridinyl]-1-propylindol-2-yl]-4-methyl-6-phenylphenol
CID 154622739
2-tert-butyl-6-[3-[6-[2-(4-tert-butyl-5-hydroxy-2-methylphenyl)-1-benzothiophen-3-yl]-2-pyridinyl]-1-benzothiophen-2-yl]-4-methylphenol;hafnium
CID 170668281
2-tert-butyl-6-[3-[6-[2-(4-tert-butyl-5-hydroxy-2-methylphenyl)-1-benzothiophen-3-yl]-2-pyridinyl]-1-benzothiophen-2-yl]-4-methylphenol
CID 170668282
2-tert-butyl-6-[6-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-pyridinyl]-4-methylphenol;methanidylbenzene;zirconium(2+)
CID 59104933
2-tert-butyl-6-[2-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)cyclohexen-1-yl]-2-pyridinyl]cyclohexen-1-yl]-4-methylphenol;hafnium
CID 170668312
4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol
CID 136790278
2-tert-butyl-4-methyl-6-phenylphenol
CID 14315744
2,6-ditert-butyl-4-[(1-ethylbenzimidazol-2-yl)-hydroxymethyl]phenol
CID 2859643
2-tert-butyl-6-[3-[(2Z,4E)-5-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-methylindol-3-yl]penta-2,4-dienyl]-1-methylindol-2-yl]-4-methylphenol
CID 154681491
2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol
CID 172825279

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol?
The IUPAC name of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol (CID 154622742) is 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol?
The canonical SMILES for 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol is CCn1c(-c2cc(C)cc(C(C)(C)C)c2O)c(-c2cccc(-c3c(-c4cc(C)cc(C(C)(C)C)c4O)n(CC)c4ccccc34)n2)c2ccccc21.
What is the InChIKey of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol?
The InChIKey is UGIHFXLZLWXWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H51N3O2/c1-11-49-38-22-15-13-18-30(38)40(42(49)32-24-28(3)26-34(44(32)51)46(5,6)7)36-20-17-21-37(48-36)41-31-19-14-16-23-39(31)50(12-2)43(41)33-25-29(4)27-35(45(33)52)47(8,9)10/h13-27,51-52H,11-12H2,1-10H3.
What are the key properties of 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol?
2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol has a molecular weight of 689.94 g/mol, XLogP of 12.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[3-[6-[2-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol is sourced from PubChem (CID 154622742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).