3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine

C36H26N4 — CID 152822837

IUPAC3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine
SMILESCc1cc(-c2c3ccccc3c(-c3cnc(-c4ccccn4)c(C)c3)c3ccccc23)cnc1-c1cccnc1
InChIInChI=1S/C36H26N4/c1-23-18-26(21-39-35(23)25-10-9-16-37-20-25)33-28-11-3-5-13-30(28)34(31-14-6-4-12-29(31)33)27-19-24(2)36(40-22-27)32-15-7-8-17-38-32/h3-22H,1-2H3
InChIKeySUFYFCHXEXTLOD-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.86
Rot. Bonds4

About 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine

3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine (PubChem CID 152822837) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine
PubChem CID152822837
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine
SMILESCc1cc(-c2c3ccccc3c(-c3cnc(-c4ccccn4)c(C)c3)c3ccccc23)cnc1-c1cccnc1
InChIInChI=1S/C36H26N4/c1-23-18-26(21-39-35(23)25-10-9-16-37-20-25)33-28-11-3-5-13-30(28)34(31-14-6-4-12-29(31)33)27-19-24(2)36(40-22-27)32-15-7-8-17-38-32/h3-22H,1-2H3
InChIKeySUFYFCHXEXTLOD-UHFFFAOYSA-N
XLogP8.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[10-(4-pyridin-3-ylphenyl)anthracen-9-yl]phenyl]pyridine
CID 58568854
3-methyl-2-(3-methyl-4-pyridin-3-ylphenyl)-5-pyridin-3-ylpyridine
CID 102045011
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128
2-pyridin-3-yl-5-[5-[5-(5-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]pyridine
CID 101019648
2-(10-phenylanthracen-9-yl)pyridine
CID 88943773
2-[3-pyridin-3-yl-5-(4-triphenylen-2-ylphenyl)phenyl]pyridine
CID 118583016
2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
CID 118352530
4-pyridin-2-yl-5-pyridin-3-yl-1H-pyrazol-3-amine
CID 80521247
2-[5-[6,10-bis[6-(5-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]-5-pyridin-2-ylpyridine;2-pyridin-2-yl-5-[5-[11-[6-(6-pyridin-2-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine;2-pyridin-3-yl-5-[5-[11-[6-(6-pyridin-3-yl-3-pyridinyl)-3-pyridinyl]triphenylen-2-yl]-2-pyridinyl]pyridine
CID 158248176
2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
CID 100956208
4-[3-(10-phenylanthracen-9-yl)phenyl]-2-pyridin-3-yl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 118314136

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?
The IUPAC name of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine (CID 152822837) is 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine.
What is the SMILES notation for 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?
The canonical SMILES for 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine is Cc1cc(-c2c3ccccc3c(-c3cnc(-c4ccccn4)c(C)c3)c3ccccc23)cnc1-c1cccnc1.
What is the InChIKey of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?
The InChIKey is SUFYFCHXEXTLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-23-18-26(21-39-35(23)25-10-9-16-37-20-25)33-28-11-3-5-13-30(28)34(31-14-6-4-12-29(31)33)27-19-24(2)36(40-22-27)32-15-7-8-17-38-32/h3-22H,1-2H3.
What are the key properties of 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine?
3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine has a molecular weight of 514.63 g/mol, XLogP of 8.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[10-(5-methyl-6-pyridin-2-yl-3-pyridinyl)anthracen-9-yl]-2-pyridin-3-ylpyridine is sourced from PubChem (CID 152822837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).