2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol

C42H30O2 — CID 102334535

IUPAC2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccc(-c4ccccc4O)cc3)cc2)cc1
InChIInChI=1S/C42H30O2/c43-41-15-7-5-13-39(41)33-25-21-31(22-26-33)37-11-3-1-9-35(37)29-17-19-30(20-18-29)36-10-2-4-12-38(36)32-23-27-34(28-24-32)40-14-6-8-16-42(40)44/h1-28,43-44H
InChIKeyIKJZOKXVDSPVIH-UHFFFAOYSA-N
MW566.70 g/mol
LogP11.10
Rot. Bonds6

About 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol

2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol (PubChem CID 102334535) has the molecular formula C42H30O2 and a molecular weight of 566.70 g/mol. Its IUPAC name is 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol.

Molecular Properties

Compound Name2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
PubChem CID102334535
Molecular FormulaC42H30O2
Molecular Weight566.70 g/mol
Exact Mass566.22
IUPAC Name2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol
SMILESOc1ccccc1-c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccc(-c4ccccc4O)cc3)cc2)cc1
InChIInChI=1S/C42H30O2/c43-41-15-7-5-13-39(41)33-25-21-31(22-26-33)37-11-3-1-9-35(37)29-17-19-30(20-18-29)36-10-2-4-12-38(36)32-23-27-34(28-24-32)40-14-6-8-16-42(40)44/h1-28,43-44H
InChIKeyIKJZOKXVDSPVIH-UHFFFAOYSA-N
XLogP11.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.70
LogP ≤ 511.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol?
The IUPAC name of 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol (CID 102334535) is 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol.
What is the SMILES notation for 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol?
The canonical SMILES for 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol is Oc1ccccc1-c1ccc(-c2ccccc2-c2ccc(-c3ccccc3-c3ccc(-c4ccccc4O)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol?
The InChIKey is IKJZOKXVDSPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30O2/c43-41-15-7-5-13-39(41)33-25-21-31(22-26-33)37-11-3-1-9-35(37)29-17-19-30(20-18-29)36-10-2-4-12-38(36)32-23-27-34(28-24-32)40-14-6-8-16-42(40)44/h1-28,43-44H.
What are the key properties of 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol?
2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol has a molecular weight of 566.70 g/mol, XLogP of 11.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[4-[2-[4-(2-hydroxyphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenol is sourced from PubChem (CID 102334535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).