5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline

C36H26N4 — CID 171766407

IUPAC5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline
SMILESCc1cc(-c2cc(-c3cccc(-c4ccccn4)c3)cc(-c3cc4ncccc4c4cccnc34)c2)cc(C)n1
InChIInChI=1S/C36H26N4/c1-23-16-27(17-24(2)40-23)29-19-28(25-8-5-9-26(18-25)34-12-3-4-13-37-34)20-30(21-29)33-22-35-31(10-6-14-38-35)32-11-7-15-39-36(32)33/h3-22H,1-2H3
InChIKeyOFNJYJLGLIMBCV-UHFFFAOYSA-N
MW514.63 g/mol
LogP8.86
Rot. Bonds4

About 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline

5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline (PubChem CID 171766407) has the molecular formula C36H26N4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline.

Molecular Properties

Compound Name5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline
PubChem CID171766407
Molecular FormulaC36H26N4
Molecular Weight514.63 g/mol
Exact Mass514.22
IUPAC Name5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline
SMILESCc1cc(-c2cc(-c3cccc(-c4ccccn4)c3)cc(-c3cc4ncccc4c4cccnc34)c2)cc(C)n1
InChIInChI=1S/C36H26N4/c1-23-16-27(17-24(2)40-23)29-19-28(25-8-5-9-26(18-25)34-12-3-4-13-37-34)20-30(21-29)33-22-35-31(10-6-14-38-35)32-11-7-15-39-36(32)33/h3-22H,1-2H3
InChIKeyOFNJYJLGLIMBCV-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_3', 'substructure': 'N/A'}

Analyze 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline 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

8-methyl-6-[3-(2-methyl-5-pyridin-2-ylphenyl)-5-pyridin-2-ylphenyl]benzo[f]quinoline
CID 171766128
2-[3-benzo[h]quinolin-5-yl-5-(3-pyridin-2-ylphenyl)phenyl]-1,3-benzoxazole
CID 58480084
6-[2-methyl-3-[3-(4-methyl-2-pyridinyl)phenyl]phenyl]-8-pyridin-2-ylbenzo[f]quinoline
CID 171766210
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
2,6-diphenyl-4-[3-(3-pyridin-2-ylphenyl)phenyl]pyridine
CID 140587116
2-[3-(3-methylphenyl)-5-pyridin-2-ylphenyl]pyridine
CID 123620977
5-(4-methylphenyl)-8-(2-phenyl-5-pyridin-2-ylphenyl)quinoline
CID 171751523
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
6-[3-tert-butyl-5-(2-methyl-5-pyridin-2-ylphenyl)phenyl]-8-methylbenzo[f]quinoline
CID 171766132
7-[3,5-di(quinolin-4-yl)phenyl]-2-[2-(3-pyridin-2-ylphenyl)quinolin-7-yl]quinoline;2-phenyl-9-[3-[2-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165060350

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline?
The IUPAC name of 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline (CID 171766407) is 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline.
What is the SMILES notation for 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline?
The canonical SMILES for 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline is Cc1cc(-c2cc(-c3cccc(-c4ccccn4)c3)cc(-c3cc4ncccc4c4cccnc34)c2)cc(C)n1.
What is the InChIKey of 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline?
The InChIKey is OFNJYJLGLIMBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4/c1-23-16-27(17-24(2)40-23)29-19-28(25-8-5-9-26(18-25)34-12-3-4-13-37-34)20-30(21-29)33-22-35-31(10-6-14-38-35)32-11-7-15-39-36(32)33/h3-22H,1-2H3.
What are the key properties of 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline?
5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline 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 5-[3-(2,6-dimethyl-4-pyridinyl)-5-(3-pyridin-2-ylphenyl)phenyl]-4,7-phenanthroline is sourced from PubChem (CID 171766407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).