2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine

C56H48N6 — CID 59220486

IUPAC2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)cc(-c3c4ccc(N5CCCCC5)cc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c4ccc(N5CCCCC5)cc34)c2)nc1
InChIInChI=1S/C56H48N6/c1-11-27-61(28-12-1)45-19-21-47-49(37-45)55(43-33-39(51-15-3-7-23-57-51)31-40(34-43)52-16-4-8-24-58-52)48-22-20-46(62-29-13-2-14-30-62)38-50(48)56(47)44-35-41(53-17-5-9-25-59-53)32-42(36-44)54-18-6-10-26-60-54/h3-10,15-26,31-38H,1-2,11-14,27-30H2
InChIKeyBERAJYNZSSNEFR-UHFFFAOYSA-N
MW805.04 g/mol
LogP13.56
Rot. Bonds8

About 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine

2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine (PubChem CID 59220486) has the molecular formula C56H48N6 and a molecular weight of 805.04 g/mol. Its IUPAC name is 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
PubChem CID59220486
Molecular FormulaC56H48N6
Molecular Weight805.04 g/mol
Exact Mass804.39
IUPAC Name2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3ccccn3)cc(-c3c4ccc(N5CCCCC5)cc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c4ccc(N5CCCCC5)cc34)c2)nc1
InChIInChI=1S/C56H48N6/c1-11-27-61(28-12-1)45-19-21-47-49(37-45)55(43-33-39(51-15-3-7-23-57-51)31-40(34-43)52-16-4-8-24-58-52)48-22-20-46(62-29-13-2-14-30-62)38-50(48)56(47)44-35-41(53-17-5-9-25-59-53)32-42(36-44)54-18-6-10-26-60-54/h3-10,15-26,31-38H,1-2,11-14,27-30H2
InChIKeyBERAJYNZSSNEFR-UHFFFAOYSA-N
XLogP13.56
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500805.04
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine (CID 59220486) is 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine is c1ccc(-c2cc(-c3ccccn3)cc(-c3c4ccc(N5CCCCC5)cc4c(-c4cc(-c5ccccn5)cc(-c5ccccn5)c4)c4ccc(N5CCCCC5)cc34)c2)nc1.
What is the InChIKey of 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
The InChIKey is BERAJYNZSSNEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H48N6/c1-11-27-61(28-12-1)45-19-21-47-49(37-45)55(43-33-39(51-15-3-7-23-57-51)31-40(34-43)52-16-4-8-24-58-52)48-22-20-46(62-29-13-2-14-30-62)38-50(48)56(47)44-35-41(53-17-5-9-25-59-53)32-42(36-44)54-18-6-10-26-60-54/h3-10,15-26,31-38H,1-2,11-14,27-30H2.
What are the key properties of 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine?
2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine has a molecular weight of 805.04 g/mol, XLogP of 13.56, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[10-(3,5-dipyridin-2-ylphenyl)-2,6-di(piperidin-1-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine is sourced from PubChem (CID 59220486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).