4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol

C80H98O8 — CID 10351338

IUPAC4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
SMILESCC(C)(C)c1ccc(O)c(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)cc(-c4cc(C(C)(C)C)cc(-c5cc(C(C)(C)C)cc(-c6cc(C(C)(C)C)cc(-c7cc(C(C)(C)C)cc(-c8cc(C(C)(C)C)ccc8O)c7O)c6O)c5O)c4O)c3O)c2O)c1
InChIInChI=1S/C80H98O8/c1-73(2,3)43-25-27-65(81)51(29-43)53-31-45(75(7,8)9)33-55(67(53)83)57-35-47(77(13,14)15)37-59(69(57)85)61-39-49(79(19,20)21)41-63(71(61)87)64-42-50(80(22,23)24)40-62(72(64)88)60-38-48(78(16,17)18)36-58(70(60)86)56-34-46(76(10,11)12)32-54(68(56)84)52-30-44(74(4,5)6)26-28-66(52)82/h25-42,81-88H,1-24H3
InChIKeyNYZDVKYWVXEODT-UHFFFAOYSA-N
MW1187.66 g/mol
LogP21.38
Rot. Bonds7

About 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol

4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol (PubChem CID 10351338) has the molecular formula C80H98O8 and a molecular weight of 1187.66 g/mol. Its IUPAC name is 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
PubChem CID10351338
Molecular FormulaC80H98O8
Molecular Weight1187.66 g/mol
Exact Mass1186.73
IUPAC Name4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
SMILESCC(C)(C)c1ccc(O)c(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)cc(-c4cc(C(C)(C)C)cc(-c5cc(C(C)(C)C)cc(-c6cc(C(C)(C)C)cc(-c7cc(C(C)(C)C)cc(-c8cc(C(C)(C)C)ccc8O)c7O)c6O)c5O)c4O)c3O)c2O)c1
InChIInChI=1S/C80H98O8/c1-73(2,3)43-25-27-65(81)51(29-43)53-31-45(75(7,8)9)33-55(67(53)83)57-35-47(77(13,14)15)37-59(69(57)85)61-39-49(79(19,20)21)41-63(71(61)87)64-42-50(80(22,23)24)40-62(72(64)88)60-38-48(78(16,17)18)36-58(70(60)86)56-34-46(76(10,11)12)32-54(68(56)84)52-30-44(74(4,5)6)26-28-66(52)82/h25-42,81-88H,1-24H3
InChIKeyNYZDVKYWVXEODT-UHFFFAOYSA-N
XLogP21.38
TPSA161.84 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001187.66
LogP ≤ 521.38
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol?
The IUPAC name of 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol (CID 10351338) is 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol is CC(C)(C)c1ccc(O)c(-c2cc(C(C)(C)C)cc(-c3cc(C(C)(C)C)cc(-c4cc(C(C)(C)C)cc(-c5cc(C(C)(C)C)cc(-c6cc(C(C)(C)C)cc(-c7cc(C(C)(C)C)cc(-c8cc(C(C)(C)C)ccc8O)c7O)c6O)c5O)c4O)c3O)c2O)c1.
What is the InChIKey of 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol?
The InChIKey is NYZDVKYWVXEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H98O8/c1-73(2,3)43-25-27-65(81)51(29-43)53-31-45(75(7,8)9)33-55(67(53)83)57-35-47(77(13,14)15)37-59(69(57)85)61-39-49(79(19,20)21)41-63(71(61)87)64-42-50(80(22,23)24)40-62(72(64)88)60-38-48(78(16,17)18)36-58(70(60)86)56-34-46(76(10,11)12)32-54(68(56)84)52-30-44(74(4,5)6)26-28-66(52)82/h25-42,81-88H,1-24H3.
What are the key properties of 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol?
4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol has a molecular weight of 1187.66 g/mol, XLogP of 21.38, 7 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol is sourced from PubChem (CID 10351338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).