2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol

C34H24N2O2 — CID 153303984

IUPAC2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Oc3cc(-c4ccccc4)ccn3)c2)n1
InChIInChI=1S/C34H24N2O2/c37-33-17-8-7-16-30(33)32-22-28(25-12-5-2-6-13-25)21-31(36-32)27-14-9-15-29(20-27)38-34-23-26(18-19-35-34)24-10-3-1-4-11-24/h1-23,37H
InChIKeyWZYOJNFAAYMGCC-UHFFFAOYSA-N
MW492.58 g/mol
LogP8.64
Rot. Bonds6

About 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol

2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol (PubChem CID 153303984) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol
PubChem CID153303984
Molecular FormulaC34H24N2O2
Molecular Weight492.58 g/mol
Exact Mass492.18
IUPAC Name2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Oc3cc(-c4ccccc4)ccn3)c2)n1
InChIInChI=1S/C34H24N2O2/c37-33-17-8-7-16-30(33)32-22-28(25-12-5-2-6-13-25)21-31(36-32)27-14-9-15-29(20-27)38-34-23-26(18-19-35-34)24-10-3-1-4-11-24/h1-23,37H
InChIKeyWZYOJNFAAYMGCC-UHFFFAOYSA-N
XLogP8.64
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol?
The IUPAC name of 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol (CID 153303984) is 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol.
What is the SMILES notation for 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol?
The canonical SMILES for 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)cc(-c2cccc(Oc3cc(-c4ccccc4)ccn3)c2)n1.
What is the InChIKey of 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol?
The InChIKey is WZYOJNFAAYMGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O2/c37-33-17-8-7-16-30(33)32-22-28(25-12-5-2-6-13-25)21-31(36-32)27-14-9-15-29(20-27)38-34-23-26(18-19-35-34)24-10-3-1-4-11-24/h1-23,37H.
What are the key properties of 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol?
2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol has a molecular weight of 492.58 g/mol, XLogP of 8.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-6-[3-[(4-phenyl-2-pyridinyl)oxy]phenyl]-2-pyridinyl]phenol is sourced from PubChem (CID 153303984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).