4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol

C84H66O6 — CID 88714547

IUPAC4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1c(-c2ccccc2)c(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)c(-c2ccccc2)c(C(c2ccc(O)cc2)(c2ccc(O)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C84H66O6/c1-81(60-33-45-69(85)46-34-60,61-35-47-70(86)48-36-61)78-75(57-21-9-3-10-22-57)79(82(2,62-37-49-71(87)50-38-62)63-39-51-72(88)52-40-63)77(59-25-13-5-14-26-59)80(76(78)58-23-11-4-12-24-58)84(67-41-53-73(89)54-42-67,68-43-55-74(90)56-44-68)83(64-27-15-6-16-28-64,65-29-17-7-18-30-65)66-31-19-8-20-32-66/h3-56,85-90H,1-2H3
InChIKeyCEGTXNZKHPJQGF-UHFFFAOYSA-N
MW1171.45 g/mol
LogP19.00
Rot. Bonds16

About 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol

4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 88714547) has the molecular formula C84H66O6 and a molecular weight of 1171.45 g/mol. Its IUPAC name is 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol
PubChem CID88714547
Molecular FormulaC84H66O6
Molecular Weight1171.45 g/mol
Exact Mass1170.49
IUPAC Name4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol
SMILESCC(c1ccc(O)cc1)(c1ccc(O)cc1)c1c(-c2ccccc2)c(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)c(-c2ccccc2)c(C(c2ccc(O)cc2)(c2ccc(O)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C84H66O6/c1-81(60-33-45-69(85)46-34-60,61-35-47-70(86)48-36-61)78-75(57-21-9-3-10-22-57)79(82(2,62-37-49-71(87)50-38-62)63-39-51-72(88)52-40-63)77(59-25-13-5-14-26-59)80(76(78)58-23-11-4-12-24-58)84(67-41-53-73(89)54-42-67,68-43-55-74(90)56-44-68)83(64-27-15-6-16-28-64,65-29-17-7-18-30-65)66-31-19-8-20-32-66/h3-56,85-90H,1-2H3
InChIKeyCEGTXNZKHPJQGF-UHFFFAOYSA-N
XLogP19.00
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001171.45
LogP ≤ 519.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol (CID 88714547) is 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol is CC(c1ccc(O)cc1)(c1ccc(O)cc1)c1c(-c2ccccc2)c(C(C)(c2ccc(O)cc2)c2ccc(O)cc2)c(-c2ccccc2)c(C(c2ccc(O)cc2)(c2ccc(O)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is CEGTXNZKHPJQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H66O6/c1-81(60-33-45-69(85)46-34-60,61-35-47-70(86)48-36-61)78-75(57-21-9-3-10-22-57)79(82(2,62-37-49-71(87)50-38-62)63-39-51-72(88)52-40-63)77(59-25-13-5-14-26-59)80(76(78)58-23-11-4-12-24-58)84(67-41-53-73(89)54-42-67,68-43-55-74(90)56-44-68)83(64-27-15-6-16-28-64,65-29-17-7-18-30-65)66-31-19-8-20-32-66/h3-56,85-90H,1-2H3.
What are the key properties of 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol?
4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 1171.45 g/mol, XLogP of 19.00, 16 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-[1,1-bis(4-hydroxyphenyl)ethyl]-5-[1,1-bis(4-hydroxyphenyl)-2,2,2-triphenylethyl]-2,4,6-triphenylphenyl]-1-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 88714547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).