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

C55H51N3O2 — CID 154622756

IUPAC2-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
SMILESCc1cc(-c2c(-c3cccc(-c4c(-c5cc(C)cc(C(C)(C)C)c5O)n(-c5ccccc5)c5ccccc45)n3)c3ccccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C55H51N3O2/c1-34-30-40(52(59)42(32-34)54(3,4)5)50-48(38-24-15-17-28-46(38)57(50)36-20-11-9-12-21-36)44-26-19-27-45(56-44)49-39-25-16-18-29-47(39)58(37-22-13-10-14-23-37)51(49)41-31-35(2)33-43(53(41)60)55(6,7)8/h9-33,59-60H,1-8H3
InChIKeyVWYQADADFCPZOL-UHFFFAOYSA-N
MW786.03 g/mol
LogP14.26
Rot. Bonds6

About 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

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 (PubChem CID 154622756) has the molecular formula C55H51N3O2 and a molecular weight of 786.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID154622756
Molecular FormulaC55H51N3O2
Molecular Weight786.03 g/mol
Exact Mass785.40
IUPAC Name2-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
SMILESCc1cc(-c2c(-c3cccc(-c4c(-c5cc(C)cc(C(C)(C)C)c5O)n(-c5ccccc5)c5ccccc45)n3)c3ccccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C55H51N3O2/c1-34-30-40(52(59)42(32-34)54(3,4)5)50-48(38-24-15-17-28-46(38)57(50)36-20-11-9-12-21-36)44-26-19-27-45(56-44)49-39-25-16-18-29-47(39)58(37-22-13-10-14-23-37)51(49)41-31-35(2)33-43(53(41)60)55(6,7)8/h9-33,59-60H,1-8H3
InChIKeyVWYQADADFCPZOL-UHFFFAOYSA-N
XLogP14.26
TPSA63.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.03
LogP ≤ 514.26
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-ethylindol-3-yl]-2-pyridinyl]-1-ethylindol-2-yl]-4-methylphenol
CID 154622742
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-[6-(3-tert-butyl-2-hydroxy-5-methylphenyl)-2-pyridinyl]-4-methylphenol;methanidylbenzene;zirconium(2+)
CID 59104933
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-[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-4-methyl-6-phenylphenol
CID 14315744
4-methyl-2-(6-naphthalen-1-yl-2-pyridinyl)-6-(2-phenylpropan-2-yl)phenol
CID 136790278
2-[2-(benzotriazol-2-yl)-7-(3-tert-butyl-2-hydroxy-5-methylphenyl)-6-chlorobenzotriazol-5-yl]-6-tert-butyl-4-methylphenol
CID 172825279
2,4-ditert-butyl-6-[1-phenyl-4-[3-(2-phenylpropan-2-yl)-5-(5-phenylpyrido[4,3-b]indol-3-yl)phenyl]benzimidazol-2-yl]phenol
CID 162784155
9-(4-methylphenyl)-9-azapentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11,13,15(19),16-nonaene
CID 177491803
2,4-ditert-butyl-6-[1-(9-phenylcarbazol-1-yl)-4-[3-[4-(9-phenylcarbazol-1-yl)-2-pyridinyl]phenyl]benzimidazol-2-yl]phenol
CID 177093879

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2c(-c3cccc(-c4c(-c5cc(C)cc(C(C)(C)C)c5O)n(-c5ccccc5)c5ccccc45)n3)c3ccccc3n2-c2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is VWYQADADFCPZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H51N3O2/c1-34-30-40(52(59)42(32-34)54(3,4)5)50-48(38-24-15-17-28-46(38)57(50)36-20-11-9-12-21-36)44-26-19-27-45(56-44)49-39-25-16-18-29-47(39)58(37-22-13-10-14-23-37)51(49)41-31-35(2)33-43(53(41)60)55(6,7)8/h9-33,59-60H,1-8H3.
What are the key properties of 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?
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 has a molecular weight of 786.03 g/mol, XLogP of 14.26, 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-phenylindol-3-yl]-2-pyridinyl]-1-phenylindol-2-yl]-4-methylphenol is sourced from PubChem (CID 154622756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).