2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol

C61H74O5 — CID 87436443

IUPAC2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol
SMILESCc1cc(C(c2cc(C)cc(C(C)(C)C)c2O)c2cccc3c2Oc2c(C(c4cc(C)cc(C(C)(C)C)c4O)c4cc(C)cc(C(C)(C)C)c4O)cccc2C3(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C61H74O5/c1-33-25-39(51(62)45(29-33)57(5,6)7)49(40-26-34(2)30-46(52(40)63)58(8,9)10)37-21-19-23-43-55(37)66-56-38(22-20-24-44(56)61(43,17)18)50(41-27-35(3)31-47(53(41)64)59(11,12)13)42-28-36(4)32-48(54(42)65)60(14,15)16/h19-32,49-50,62-65H,1-18H3
InChIKeyBGNFZLMYJAVNNX-UHFFFAOYSA-N
MW887.26 g/mol
LogP15.72
Rot. Bonds6

About 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol

2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol (PubChem CID 87436443) has the molecular formula C61H74O5 and a molecular weight of 887.26 g/mol. Its IUPAC name is 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol.

Molecular Properties

Compound Name2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol
PubChem CID87436443
Molecular FormulaC61H74O5
Molecular Weight887.26 g/mol
Exact Mass886.55
IUPAC Name2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol
SMILESCc1cc(C(c2cc(C)cc(C(C)(C)C)c2O)c2cccc3c2Oc2c(C(c4cc(C)cc(C(C)(C)C)c4O)c4cc(C)cc(C(C)(C)C)c4O)cccc2C3(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C61H74O5/c1-33-25-39(51(62)45(29-33)57(5,6)7)49(40-26-34(2)30-46(52(40)63)58(8,9)10)37-21-19-23-43-55(37)66-56-38(22-20-24-44(56)61(43,17)18)50(41-27-35(3)31-47(53(41)64)59(11,12)13)42-28-36(4)32-48(54(42)65)60(14,15)16/h19-32,49-50,62-65H,1-18H3
InChIKeyBGNFZLMYJAVNNX-UHFFFAOYSA-N
XLogP15.72
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500887.26
LogP ≤ 515.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol 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-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol?
The IUPAC name of 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol (CID 87436443) is 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol.
What is the SMILES notation for 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol?
The canonical SMILES for 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol is Cc1cc(C(c2cc(C)cc(C(C)(C)C)c2O)c2cccc3c2Oc2c(C(c4cc(C)cc(C(C)(C)C)c4O)c4cc(C)cc(C(C)(C)C)c4O)cccc2C3(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol?
The InChIKey is BGNFZLMYJAVNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H74O5/c1-33-25-39(51(62)45(29-33)57(5,6)7)49(40-26-34(2)30-46(52(40)63)58(8,9)10)37-21-19-23-43-55(37)66-56-38(22-20-24-44(56)61(43,17)18)50(41-27-35(3)31-47(53(41)64)59(11,12)13)42-28-36(4)32-48(54(42)65)60(14,15)16/h19-32,49-50,62-65H,1-18H3.
What are the key properties of 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol?
2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol has a molecular weight of 887.26 g/mol, XLogP of 15.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[bis(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-9,9-dimethylxanthen-4-yl]-(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-tert-butyl-4-methylphenol is sourced from PubChem (CID 87436443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).