2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine

C56H38N6 — CID 171403413

IUPAC2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine
SMILESC1=CCC(c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)ccc5c(-c5ccccc5)c4c3)cc(-c3ccccn3)n2)N=C1
InChIInChI=1S/C56H38N6/c1-3-15-37(16-4-1)55-43-25-23-40(42-35-53(49-21-9-13-29-59-49)62-54(36-42)50-22-10-14-30-60-50)32-46(43)56(38-17-5-2-6-18-38)44-26-24-39(31-45(44)55)41-33-51(47-19-7-11-27-57-47)61-52(34-41)48-20-8-12-28-58-48/h1-21,23-36,50H,22H2
InChIKeyYSTRVGZPYIUKPW-UHFFFAOYSA-N
MW794.96 g/mol
LogP13.71
Rot. Bonds8

About 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine

2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine (PubChem CID 171403413) has the molecular formula C56H38N6 and a molecular weight of 794.96 g/mol. Its IUPAC name is 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Name2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine
PubChem CID171403413
Molecular FormulaC56H38N6
Molecular Weight794.96 g/mol
Exact Mass794.32
IUPAC Name2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine
SMILESC1=CCC(c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)ccc5c(-c5ccccc5)c4c3)cc(-c3ccccn3)n2)N=C1
InChIInChI=1S/C56H38N6/c1-3-15-37(16-4-1)55-43-25-23-40(42-35-53(49-21-9-13-29-59-49)62-54(36-42)50-22-10-14-30-60-50)32-46(43)56(38-17-5-2-6-18-38)44-26-24-39(31-45(44)55)41-33-51(47-19-7-11-27-57-47)61-52(34-41)48-20-8-12-28-58-48/h1-21,23-36,50H,22H2
InChIKeyYSTRVGZPYIUKPW-UHFFFAOYSA-N
XLogP13.71
TPSA76.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 513.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine with MolForge

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Related Compounds

2-[3-[10-[3-(2,3-dihydropyridin-2-yl)phenyl]-3-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 130453294
2-(9,10-diphenylanthracen-2-yl)-6-pyridin-2-ylpyridine
CID 59722108
4-[10-(2,6-dipyridin-2-yl-4-pyridinyl)anthracen-9-yl]-2,6-dipyridin-2-ylpyridine;4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine;2,4,6-tripyridin-2-ylpyridine
CID 161380228
4-(9,10-dinaphthalen-2-yl-6-phenoxyanthracen-2-yl)-2,6-dipyridin-2-ylpyridine
CID 90361761
2-[3-[3-(3,5-diphenylphenyl)-10-(3-phenylphenyl)anthracen-9-yl]phenyl]pyridine
CID 171724335
10-(2,6-dipyridin-2-yl-4-pyridinyl)-7-phenylbenzo[c]acridine
CID 166056922
4-[3-(2,3-dihydropyridin-2-yl)-5-(5-phenyl-2-pyridinyl)phenyl]-2,6-diphenylpyridine
CID 166844371
4-[3-[3-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 102048585
4-(9,10-diphenylanthracen-2-yl)-2-phenylpyridine
CID 59722046
4-(3,5-dipyridin-2-ylphenyl)-2-phenyl-6-pyridin-2-ylpyridine
CID 23528039
5-[3-(9,10-diphenylanthracen-2-yl)phenyl]-2,9-dipyridin-2-yl-1,10-phenanthroline
CID 59307376
2-[7-(2,6-dipyridin-2-yl-4-pyridinyl)triphenylen-2-yl]-7-phenylbenzo[b][1,10]phenanthroline
CID 139445816

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine?
The IUPAC name of 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine (CID 171403413) is 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine?
The canonical SMILES for 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine is C1=CCC(c2cc(-c3ccc4c(-c5ccccc5)c5cc(-c6cc(-c7ccccn7)nc(-c7ccccn7)c6)ccc5c(-c5ccccc5)c4c3)cc(-c3ccccn3)n2)N=C1.
What is the InChIKey of 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine?
The InChIKey is YSTRVGZPYIUKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N6/c1-3-15-37(16-4-1)55-43-25-23-40(42-35-53(49-21-9-13-29-59-49)62-54(36-42)50-22-10-14-30-60-50)32-46(43)56(38-17-5-2-6-18-38)44-26-24-39(31-45(44)55)41-33-51(47-19-7-11-27-57-47)61-52(34-41)48-20-8-12-28-58-48/h1-21,23-36,50H,22H2.
What are the key properties of 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine?
2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine has a molecular weight of 794.96 g/mol, XLogP of 13.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyridin-2-yl)-4-[6-(2,6-dipyridin-2-yl-4-pyridinyl)-9,10-diphenylanthracen-2-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 171403413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).