2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol

C72H66O6 — CID 145151869

IUPAC2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol
SMILESCCC(CC)(c1cc(-c2ccc(O)cc2)ccc1O)C(c1ccc(-c2ccccc2)cc1)c1cc(-c2ccc(O)c(C(CC)(CC)C(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)ccc1O
InChIInChI=1S/C72H66O6/c1-5-71(6-2,63-45-57(33-41-67(63)77)52-29-37-60(74)38-30-52)70(54-25-21-50(22-26-54)48-17-13-10-14-18-48)62-44-56(32-40-66(62)76)58-34-42-68(78)64(46-58)72(7-3,8-4)69(53-23-19-49(20-24-53)47-15-11-9-12-16-47)61-43-55(31-39-65(61)75)51-27-35-59(73)36-28-51/h9-46,69-70,73-78H,5-8H2,1-4H3
InChIKeyBJJPPACTXINBJM-UHFFFAOYSA-N
MW1027.31 g/mol
LogP18.03
Rot. Bonds17

About 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol

2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol (PubChem CID 145151869) has the molecular formula C72H66O6 and a molecular weight of 1027.31 g/mol. Its IUPAC name is 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol.

Molecular Properties

Compound Name2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol
PubChem CID145151869
Molecular FormulaC72H66O6
Molecular Weight1027.31 g/mol
Exact Mass1026.49
IUPAC Name2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol
SMILESCCC(CC)(c1cc(-c2ccc(O)cc2)ccc1O)C(c1ccc(-c2ccccc2)cc1)c1cc(-c2ccc(O)c(C(CC)(CC)C(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)ccc1O
InChIInChI=1S/C72H66O6/c1-5-71(6-2,63-45-57(33-41-67(63)77)52-29-37-60(74)38-30-52)70(54-25-21-50(22-26-54)48-17-13-10-14-18-48)62-44-56(32-40-66(62)76)58-34-42-68(78)64(46-58)72(7-3,8-4)69(53-23-19-49(20-24-53)47-15-11-9-12-16-47)61-43-55(31-39-65(61)75)51-27-35-59(73)36-28-51/h9-46,69-70,73-78H,5-8H2,1-4H3
InChIKeyBJJPPACTXINBJM-UHFFFAOYSA-N
XLogP18.03
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001027.31
LogP ≤ 518.03
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol with MolForge

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Related Compounds

2-[[4-[4-[bis[2-hydroxy-5-(4-hydroxyphenyl)phenyl]methyl]phenyl]phenyl]-[3-(4-hydroxyphenyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 126693552
4-[1-(4-hydroxyphenyl)propyl]-2-(trifluoromethyl)phenol
CID 150882903
4-[2-[4-[4-[2-(4-hydroxyphenoxy)ethoxy]-3-[[2-[2-(4-hydroxyphenoxy)ethoxy]-5-[4-[2-(4-hydroxyphenoxy)ethoxy]phenyl]phenyl]-(4-phenylphenyl)methyl]phenyl]phenoxy]ethoxy]phenol
CID 142364310
2-[1-(2,5-dihydroxyphenyl)butyl]benzene-1,4-diol
CID 23019019
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-(4-pentylcyclohexyl)phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 154613065
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
3-(4-hydroxyphenyl)phenol;propane
CID 175032185
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-(1H-imidazol-5-yl)methyl]-4-phenylphenol
CID 145235295
1-ethoxy-4-phenylbenzene;phenol
CID 174652155
2-[[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-[4-[(E)-prop-1-enyl]phenyl]methyl]-4-(4-hydroxyphenyl)phenol
CID 163458586
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol?
The IUPAC name of 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol (CID 145151869) is 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol.
What is the SMILES notation for 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol?
The canonical SMILES for 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol is CCC(CC)(c1cc(-c2ccc(O)cc2)ccc1O)C(c1ccc(-c2ccccc2)cc1)c1cc(-c2ccc(O)c(C(CC)(CC)C(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)ccc1O.
What is the InChIKey of 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol?
The InChIKey is BJJPPACTXINBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H66O6/c1-5-71(6-2,63-45-57(33-41-67(63)77)52-29-37-60(74)38-30-52)70(54-25-21-50(22-26-54)48-17-13-10-14-18-48)62-44-56(32-40-66(62)76)58-34-42-68(78)64(46-58)72(7-3,8-4)69(53-23-19-49(20-24-53)47-15-11-9-12-16-47)61-43-55(31-39-65(61)75)51-27-35-59(73)36-28-51/h9-46,69-70,73-78H,5-8H2,1-4H3.
What are the key properties of 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol?
2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol has a molecular weight of 1027.31 g/mol, XLogP of 18.03, 17 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethyl-2-[5-[3-[2-ethyl-2-[2-hydroxy-5-(4-hydroxyphenyl)phenyl]-1-(4-phenylphenyl)butyl]-4-hydroxyphenyl]-2-hydroxyphenyl]-1-(4-phenylphenyl)butyl]-4-(4-hydroxyphenyl)phenol is sourced from PubChem (CID 145151869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).