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

C52H38N4O2 — CID 89402860

IUPAC3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccc(-c3cccnc3)cc2)c(-c2ccc(-c3cccnc3)cc2)c(OC)c(-c2ccc(-c3cccnc3)cc2)c1-c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C52H38N4O2/c1-57-51-47(39-19-11-35(12-20-39)43-7-3-27-53-31-43)49(41-23-15-37(16-24-41)45-9-5-29-55-33-45)52(58-2)50(42-25-17-38(18-26-42)46-10-6-30-56-34-46)48(51)40-21-13-36(14-22-40)44-8-4-28-54-32-44/h3-34H,1-2H3
InChIKeyIZUKHZLLTDBGFH-UHFFFAOYSA-N
MW750.90 g/mol
LogP12.62
Rot. Bonds10

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

3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 89402860) has the molecular formula C52H38N4O2 and a molecular weight of 750.90 g/mol. Its IUPAC name is 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
PubChem CID89402860
Molecular FormulaC52H38N4O2
Molecular Weight750.90 g/mol
Exact Mass750.30
IUPAC Name3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
SMILESCOc1c(-c2ccc(-c3cccnc3)cc2)c(-c2ccc(-c3cccnc3)cc2)c(OC)c(-c2ccc(-c3cccnc3)cc2)c1-c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C52H38N4O2/c1-57-51-47(39-19-11-35(12-20-39)43-7-3-27-53-31-43)49(41-23-15-37(16-24-41)45-9-5-29-55-33-45)52(58-2)50(42-25-17-38(18-26-42)46-10-6-30-56-34-46)48(51)40-21-13-36(14-22-40)44-8-4-28-54-32-44/h3-34H,1-2H3
InChIKeyIZUKHZLLTDBGFH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Isoquinolin-7-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
CID 10546465
8-[4-[2-(2-Isoquinolin-8-ylphenoxy)ethyl]phenyl]isoquinoline
CID 162644445
3-(2-Methoxy-6-pyridin-3-yl-1-naphthyl)pyridine
CID 11544136
3-[6-Methoxy-3-(4-methoxybenzyl)naphthalen-2-yl]pyridine
CID 24896569
3-[3-[(3-Methoxyphenyl)methyl]naphthalen-2-yl]pyridine
CID 25129118
3-[7-Methoxy-3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]pyridine
CID 25129121
3-[3-[(2-Methoxyphenyl)methyl]naphthalen-2-yl]pyridine
CID 25130520
4-(4-Methoxyphenyl)-1-[[4-[tris[4-[[4-(4-methoxyphenyl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]phenyl]methyl]pyridin-1-ium tetrachloride
CID 177650523
4,4'-[[2,5-bis(octyloxy)-1,4-phenylene]di(E)ethene-2,1-diyl]dipyridine
CID 640282
Tetrakis[(2-pyridylmethyl)oxy]calix[4]arene
CID 15163580
2-[(26,27,28-Tripyridin-2-yloxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaenyl)oxy]pyridine
CID 15514514
4,4'-((2,5-Dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dipyridine
CID 11702930

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The IUPAC name of 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 89402860) is 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The canonical SMILES for 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is COc1c(-c2ccc(-c3cccnc3)cc2)c(-c2ccc(-c3cccnc3)cc2)c(OC)c(-c2ccc(-c3cccnc3)cc2)c1-c1ccc(-c2cccnc2)cc1.
What is the InChIKey of 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
The InChIKey is IZUKHZLLTDBGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38N4O2/c1-57-51-47(39-19-11-35(12-20-39)43-7-3-27-53-31-43)49(41-23-15-37(16-24-41)45-9-5-29-55-33-45)52(58-2)50(42-25-17-38(18-26-42)46-10-6-30-56-34-46)48(51)40-21-13-36(14-22-40)44-8-4-28-54-32-44/h3-34H,1-2H3.
What are the key properties of 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?
3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-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 3-[4-[2,5-dimethoxy-3,4,6-tris(4-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 89402860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).