4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine

C44H28N6 — CID 11982072

IUPAC4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cccc4cc5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5cc34)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C44H28N6/c1-5-19-45-37(15-1)41-24-31(25-42(49-41)38-16-2-6-20-46-38)33-13-9-11-29-23-30-12-10-14-34(36(30)28-35(29)33)32-26-43(39-17-3-7-21-47-39)50-44(27-32)40-18-4-8-22-48-40/h1-28H
InChIKeyVKRVUSPJWOLYEW-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.36
Rot. Bonds6

About 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine

4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine (PubChem CID 11982072) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine
PubChem CID11982072
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine
SMILESc1ccc(-c2cc(-c3cccc4cc5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5cc34)cc(-c3ccccn3)n2)nc1
InChIInChI=1S/C44H28N6/c1-5-19-45-37(15-1)41-24-31(25-42(49-41)38-16-2-6-20-46-38)33-13-9-11-29-23-30-12-10-14-34(36(30)28-35(29)33)32-26-43(39-17-3-7-21-47-39)50-44(27-32)40-18-4-8-22-48-40/h1-28H
InChIKeyVKRVUSPJWOLYEW-UHFFFAOYSA-N
XLogP10.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine with MolForge

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Related Compounds

4,4'-Diphenyl-2,2'-bipyridine
CID 80259
3-(3-Benzylnaphthalen-2-yl)pyridine
CID 25130517
2-Isoquinolin-3-ylquinoline
CID 620696
4'-(4-Pyridyl)-2,2':6',2''-terpyridine
CID 11438308
2,6-Bis(2-pyridyl)-4-phenylpyridine
CID 4407216
3-(9-Phenanthryl)pyridine
CID 11687499
2,2':4',2''-Terpyridine, 6'-(2-pyridinyl)-
CID 9972674
1'-(pyridin-2-ylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]
CID 15163155
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pent-1-ynyl]phenyl]pent-4-ynyl]pyridin-1-ium tetrabromide
CID 44158944
3-Benzyl-1-[5-[2,4,5-tris[5-(3-benzylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159304
2-[5-[2,4,5-Tris(5-isoquinolin-2-ium-2-ylpentyl)phenyl]pentyl]isoquinolin-2-ium tetrabromide
CID 44159419
3-Phenyl-1-[5-[2,4,5-tris[5-(3-phenylpyridin-1-ium-1-yl)pentyl]phenyl]pentyl]pyridin-1-ium tetrabromide
CID 44159538

Frequently Asked Questions

What is the IUPAC name of 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine (CID 11982072) is 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine is c1ccc(-c2cc(-c3cccc4cc5cccc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)c5cc34)cc(-c3ccccn3)n2)nc1.
What is the InChIKey of 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is VKRVUSPJWOLYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-5-19-45-37(15-1)41-24-31(25-42(49-41)38-16-2-6-20-46-38)33-13-9-11-29-23-30-12-10-14-34(36(30)28-35(29)33)32-26-43(39-17-3-7-21-47-39)50-44(27-32)40-18-4-8-22-48-40/h1-28H.
What are the key properties of 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine?
4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 640.75 g/mol, XLogP of 10.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-1-yl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 11982072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).