2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol

C60H71NO2 — CID 155058199

IUPAC2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol
SMILESCc1ccc(-c2cc(C(C)(C)C)cc(C3CC4CC5CCC3C(C5)C4)c2O)c(-c2cccc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1
InChIInChI=1S/C60H71NO2/c1-34-12-15-45(50-27-42(58(3,4)5)28-52(56(50)62)47-26-37-20-36-14-17-44(47)41(24-36)25-37)48(18-34)54-10-9-11-55(61-54)49-19-35(2)13-16-46(49)51-29-43(59(6,7)8)30-53(57(51)63)60-31-38-21-39(32-60)23-40(22-38)33-60/h9-13,15-16,18-19,27-30,36-41,44,47,62-63H,14,17,20-26,31-33H2,1-8H3
InChIKeyDTMYBLFIJCRFMX-UHFFFAOYSA-N
MW838.23 g/mol
LogP15.77
Rot. Bonds6

About 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol

2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol (PubChem CID 155058199) has the molecular formula C60H71NO2 and a molecular weight of 838.23 g/mol. Its IUPAC name is 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol.

Molecular Properties

Compound Name2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol
PubChem CID155058199
Molecular FormulaC60H71NO2
Molecular Weight838.23 g/mol
Exact Mass837.55
IUPAC Name2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol
SMILESCc1ccc(-c2cc(C(C)(C)C)cc(C3CC4CC5CCC3C(C5)C4)c2O)c(-c2cccc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1
InChIInChI=1S/C60H71NO2/c1-34-12-15-45(50-27-42(58(3,4)5)28-52(56(50)62)47-26-37-20-36-14-17-44(47)41(24-36)25-37)48(18-34)54-10-9-11-55(61-54)49-19-35(2)13-16-46(49)51-29-43(59(6,7)8)30-53(57(51)63)60-31-38-21-39(32-60)23-40(22-38)33-60/h9-13,15-16,18-19,27-30,36-41,44,47,62-63H,14,17,20-26,31-33H2,1-8H3
InChIKeyDTMYBLFIJCRFMX-UHFFFAOYSA-N
XLogP15.77
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.23
LogP ≤ 515.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol?
The IUPAC name of 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol (CID 155058199) is 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol.
What is the SMILES notation for 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol?
The canonical SMILES for 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol is Cc1ccc(-c2cc(C(C)(C)C)cc(C3CC4CC5CCC3C(C5)C4)c2O)c(-c2cccc(-c3cc(C)ccc3-c3cc(C(C)(C)C)cc(C45CC6CC(CC(C6)C4)C5)c3O)n2)c1.
What is the InChIKey of 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol?
The InChIKey is DTMYBLFIJCRFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H71NO2/c1-34-12-15-45(50-27-42(58(3,4)5)28-52(56(50)62)47-26-37-20-36-14-17-44(47)41(24-36)25-37)48(18-34)54-10-9-11-55(61-54)49-19-35(2)13-16-46(49)51-29-43(59(6,7)8)30-53(57(51)63)60-31-38-21-39(32-60)23-40(22-38)33-60/h9-13,15-16,18-19,27-30,36-41,44,47,62-63H,14,17,20-26,31-33H2,1-8H3.
What are the key properties of 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol?
2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol has a molecular weight of 838.23 g/mol, XLogP of 15.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-[2-[3-(1-adamantyl)-5-tert-butyl-2-hydroxyphenyl]-5-methylphenyl]-2-pyridinyl]-4-methylphenyl]-4-tert-butyl-6-(3-tricyclo[5.3.1.04,9]undecanyl)phenol is sourced from PubChem (CID 155058199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).