4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine

C52H38N4O2 — CID 89402903

IUPAC4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccc(-c3ccncc3)cc2)c(-c2ccc(-c3ccncc3)cc2)c(OC)c(-c2ccc(-c3ccncc3)cc2)c1-c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C52H38N4O2/c1-57-51-47(43-11-3-35(4-12-43)39-19-27-53-28-20-39)49(45-15-7-37(8-16-45)41-23-31-55-32-24-41)52(58-2)50(46-17-9-38(10-18-46)42-25-33-56-34-26-42)48(51)44-13-5-36(6-14-44)40-21-29-54-30-22-40/h3-34H,1-2H3
InChIKeyXNFDEJNCHJERMC-UHFFFAOYSA-N
MW750.90 g/mol
LogP12.62
Rot. Bonds10

About 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine

4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 89402903) has the molecular formula C52H38N4O2 and a molecular weight of 750.90 g/mol. Its IUPAC name is 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
PubChem CID89402903
Molecular FormulaC52H38N4O2
Molecular Weight750.90 g/mol
Exact Mass750.30
IUPAC Name4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccc(-c3ccncc3)cc2)c(-c2ccc(-c3ccncc3)cc2)c(OC)c(-c2ccc(-c3ccncc3)cc2)c1-c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C52H38N4O2/c1-57-51-47(43-11-3-35(4-12-43)39-19-27-53-28-20-39)49(45-15-7-37(8-16-45)41-23-31-55-32-24-41)52(58-2)50(46-17-9-38(10-18-46)42-25-33-56-34-26-42)48(51)44-13-5-36(6-14-44)40-21-29-54-30-22-40/h3-34H,1-2H3
InChIKeyXNFDEJNCHJERMC-UHFFFAOYSA-N
XLogP12.62
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.90
LogP ≤ 512.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine (CID 89402903) is 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine is COc1c(-c2ccc(-c3ccncc3)cc2)c(-c2ccc(-c3ccncc3)cc2)c(OC)c(-c2ccc(-c3ccncc3)cc2)c1-c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is XNFDEJNCHJERMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4O2/c1-57-51-47(43-11-3-35(4-12-43)39-19-27-53-28-20-39)49(45-15-7-37(8-16-45)41-23-31-55-32-24-41)52(58-2)50(46-17-9-38(10-18-46)42-25-33-56-34-26-42)48(51)44-13-5-36(6-14-44)40-21-29-54-30-22-40/h3-34H,1-2H3.
What are the key properties of 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine?
4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 750.90 g/mol, XLogP of 12.62, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-4-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 89402903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).