2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine

C52H36N2O2 — CID 58692908

IUPAC2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)c(Oc3ccc(Oc4c(-c5ccccc5)cc(-c5ccccc5)nc4-c4ccccc4)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H36N2O2/c1-7-19-37(20-8-1)45-35-47(39-23-11-3-12-24-39)53-49(41-27-15-5-16-28-41)51(45)55-43-31-33-44(34-32-43)56-52-46(38-21-9-2-10-22-38)36-48(40-25-13-4-14-26-40)54-50(52)42-29-17-6-18-30-42/h1-36H
InChIKeyCXOMPJTVIWGRLV-UHFFFAOYSA-N
MW720.87 g/mol
LogP14.06
Rot. Bonds10

About 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine

2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine (PubChem CID 58692908) has the molecular formula C52H36N2O2 and a molecular weight of 720.87 g/mol. Its IUPAC name is 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine.

Molecular Properties

Compound Name2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
PubChem CID58692908
Molecular FormulaC52H36N2O2
Molecular Weight720.87 g/mol
Exact Mass720.28
IUPAC Name2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine
SMILESc1ccc(-c2cc(-c3ccccc3)c(Oc3ccc(Oc4c(-c5ccccc5)cc(-c5ccccc5)nc4-c4ccccc4)cc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C52H36N2O2/c1-7-19-37(20-8-1)45-35-47(39-23-11-3-12-24-39)53-49(41-27-15-5-16-28-41)51(45)55-43-31-33-44(34-32-43)56-52-46(38-21-9-2-10-22-38)36-48(40-25-13-4-14-26-40)54-50(52)42-29-17-6-18-30-42/h1-36H
InChIKeyCXOMPJTVIWGRLV-UHFFFAOYSA-N
XLogP14.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.87
LogP ≤ 514.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine?
The IUPAC name of 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine (CID 58692908) is 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine.
What is the SMILES notation for 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine?
The canonical SMILES for 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine is c1ccc(-c2cc(-c3ccccc3)c(Oc3ccc(Oc4c(-c5ccccc5)cc(-c5ccccc5)nc4-c4ccccc4)cc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine?
The InChIKey is CXOMPJTVIWGRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N2O2/c1-7-19-37(20-8-1)45-35-47(39-23-11-3-12-24-39)53-49(41-27-15-5-16-28-41)51(45)55-43-31-33-44(34-32-43)56-52-46(38-21-9-2-10-22-38)36-48(40-25-13-4-14-26-40)54-50(52)42-29-17-6-18-30-42/h1-36H.
What are the key properties of 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine?
2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine has a molecular weight of 720.87 g/mol, XLogP of 14.06, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-3-[4-[(2,4,6-triphenyl-3-pyridinyl)oxy]phenoxy]pyridine is sourced from PubChem (CID 58692908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).