2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole

C128H72N16O4S4 — CID 160896986

About 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole

2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 160896986) has the molecular formula C128H72N16O4S4 and a molecular weight of 2026.36 g/mol. Its IUPAC name is 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

• Compound Name: 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole
• PubChem CID: 160896986
• Molecular Formula: C128H72N16O4S4
• Molecular Weight: 2026.36 g/mol
• Exact Mass: 2024.48
• IUPAC Name: 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole
• SMILES: c1coc(-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7ncco7)nc6)cc6ccc(c3)c4c56)cn2)n1.c1coc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7ncco7)nc6)ccc6ccc3c4c65)cn2)n1.c1csc(-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7nccs7)nc6)cc6ccc(c3)c4c56)cn2)n1.c1csc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7nccs7)nc6)ccc6ccc3c4c65)cn2)n1
• InChI: InChI=1S/2C32H18N4O2.2C32H18N4S2/c1-7-23(21-5-11-27(35-17-21)31-33-13-15-37-31)25-10-4-20-2-8-24(26-9-3-19(1)29(25)30(20)26)22-6-12-28(36-18-22)32-34-14-16-38-32;1-2-20-14-26(24-6-8-28(36-18-24)32-34-10-12-38-32)16-22-4-3-21-15-25(13-19(1)29(21)30(20)22)23-5-7-27(35-17-23)31-33-9-11-37-31;1-7-23(21-5-11-27(35-17-21)31-33-13-15-37-31)25-10-4-20-2-8-24(26-9-3-19(1)29(25)30(20)26)22-6-12-28(36-18-22)32-34-14-16-38-32;1-2-20-14-26(24-6-8-28(36-18-24)32-34-10-12-38-32)16-22-4-3-21-15-25(13-19(1)29(21)30(20)22)23-5-7-27(35-17-23)31-33-9-11-37-31/h4*1-18H
• InChIKey: SOZVMCJIJZYDDK-UHFFFAOYSA-N
• XLogP: 33.95
• TPSA: 258.80 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2026.36
LogP ≤ 5	33.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole?

The IUPAC name of 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole (CID 160896986) is 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole.

What is the SMILES notation for 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole?

The canonical SMILES for 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole is c1coc(-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7ncco7)nc6)cc6ccc(c3)c4c56)cn2)n1.c1coc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7ncco7)nc6)ccc6ccc3c4c65)cn2)n1.c1csc(-c2ccc(-c3cc4ccc5cc(-c6ccc(-c7nccs7)nc6)cc6ccc(c3)c4c56)cn2)n1.c1csc(-c2ccc(-c3ccc4ccc5c(-c6ccc(-c7nccs7)nc6)ccc6ccc3c4c65)cn2)n1.

What is the InChIKey of 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole?

The InChIKey is SOZVMCJIJZYDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H18N4O2.2C32H18N4S2/c1-7-23(21-5-11-27(35-17-21)31-33-13-15-37-31)25-10-4-20-2-8-24(26-9-3-19(1)29(25)30(20)26)22-6-12-28(36-18-22)32-34-14-16-38-32;1-2-20-14-26(24-6-8-28(36-18-24)32-34-10-12-38-32)16-22-4-3-21-15-25(13-19(1)29(21)30(20)22)23-5-7-27(35-17-23)31-33-9-11-37-31;1-7-23(21-5-11-27(35-17-21)31-33-13-15-37-31)25-10-4-20-2-8-24(26-9-3-19(1)29(25)30(20)26)22-6-12-28(36-18-22)32-34-14-16-38-32;1-2-20-14-26(24-6-8-28(36-18-24)32-34-10-12-38-32)16-22-4-3-21-15-25(13-19(1)29(21)30(20)22)23-5-7-27(35-17-23)31-33-9-11-37-31/h4*1-18H.

What are the key properties of 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole?

2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole has a molecular weight of 2026.36 g/mol, XLogP of 33.95, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[6-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[7-[6-(1,3-oxazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;2-[5-[6-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole;2-[5-[7-[6-(1,3-thiazol-2-yl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 160896986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).