4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol

C60H42O2 — CID 135173030

IUPAC4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
SMILESOc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(O)cc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C60H42O2/c61-49-35-31-47(32-36-49)59-55(43-23-11-3-12-24-43)51(41-19-7-1-8-20-41)39-53(57(59)45-27-15-5-16-28-45)54-40-52(42-21-9-2-10-22-42)56(44-25-13-4-14-26-44)60(48-33-37-50(62)38-34-48)58(54)46-29-17-6-18-30-46/h1-40,61-62H
InChIKeyPHAKJNAELGYXSQ-UHFFFAOYSA-N
MW794.99 g/mol
LogP16.10
Rot. Bonds9

About 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol

4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol (PubChem CID 135173030) has the molecular formula C60H42O2 and a molecular weight of 794.99 g/mol. Its IUPAC name is 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol.

Molecular Properties

Compound Name4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
PubChem CID135173030
Molecular FormulaC60H42O2
Molecular Weight794.99 g/mol
Exact Mass794.32
IUPAC Name4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol
SMILESOc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(O)cc4)c3-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C60H42O2/c61-49-35-31-47(32-36-49)59-55(43-23-11-3-12-24-43)51(41-19-7-1-8-20-41)39-53(57(59)45-27-15-5-16-28-45)54-40-52(42-21-9-2-10-22-42)56(44-25-13-4-14-26-44)60(48-33-37-50(62)38-34-48)58(54)46-29-17-6-18-30-46/h1-40,61-62H
InChIKeyPHAKJNAELGYXSQ-UHFFFAOYSA-N
XLogP16.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.99
LogP ≤ 516.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol?
The IUPAC name of 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol (CID 135173030) is 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol.
What is the SMILES notation for 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol?
The canonical SMILES for 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol is Oc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)cc(-c3cc(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(O)cc4)c3-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol?
The InChIKey is PHAKJNAELGYXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H42O2/c61-49-35-31-47(32-36-49)59-55(43-23-11-3-12-24-43)51(41-19-7-1-8-20-41)39-53(57(59)45-27-15-5-16-28-45)54-40-52(42-21-9-2-10-22-42)56(44-25-13-4-14-26-44)60(48-33-37-50(62)38-34-48)58(54)46-29-17-6-18-30-46/h1-40,61-62H.
What are the key properties of 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol?
4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol has a molecular weight of 794.99 g/mol, XLogP of 16.10, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-(4-hydroxyphenyl)-2,4,5-triphenylphenyl]-2,5,6-triphenylphenyl]phenol is sourced from PubChem (CID 135173030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).