5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole

C36H22N4S2 — CID 121297776

About 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole

5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 121297776) has the molecular formula C36H22N4S2 and a molecular weight of 574.73 g/mol. Its IUPAC name is 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
• PubChem CID: 121297776
• Molecular Formula: C36H22N4S2
• Molecular Weight: 574.73 g/mol
• Exact Mass: 574.13
• IUPAC Name: 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole
• SMILES: c1ccc(-c2ccc3c(-c4cccc(-c5cncs5)n4)c4ccccc4c(-c4cccc(-c5cncs5)n4)c3c2)cc1
• InChI: InChI=1S/C36H22N4S2/c1-2-8-23(9-3-1)24-16-17-27-28(18-24)36(32-15-7-13-30(40-32)34-20-38-22-42-34)26-11-5-4-10-25(26)35(27)31-14-6-12-29(39-31)33-19-37-21-41-33/h1-22H
• InChIKey: HKNLZYWFCPZZIR-UHFFFAOYSA-N
• XLogP: 10.03
• TPSA: 51.56 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.73
LogP ≤ 5	10.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The IUPAC name of 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole (CID 121297776) is 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole.

What is the SMILES notation for 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The canonical SMILES for 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole is c1ccc(-c2ccc3c(-c4cccc(-c5cncs5)n4)c4ccccc4c(-c4cccc(-c5cncs5)n4)c3c2)cc1.

What is the InChIKey of 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

The InChIKey is HKNLZYWFCPZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4S2/c1-2-8-23(9-3-1)24-16-17-27-28(18-24)36(32-15-7-13-30(40-32)34-20-38-22-42-34)26-11-5-4-10-25(26)35(27)31-14-6-12-29(39-31)33-19-37-21-41-33/h1-22H.

What are the key properties of 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole?

5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 574.73 g/mol, XLogP of 10.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-[2-phenyl-10-[6-(1,3-thiazol-5-yl)-2-pyridinyl]anthracen-9-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 121297776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).