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

C128H72N16O4S4 — CID 159077716

IUPAC2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole
SMILESc1cc(-c2cc3ccc4cc(-c5cccc(-c6ncco6)n5)cc5ccc(c2)c3c45)nc(-c2cnco2)c1.c1cc(-c2cc3ccc4cc(-c5cccc(-c6nccs6)n5)cc5ccc(c2)c3c45)nc(-c2cncs2)c1.c1cc(-c2cnco2)nc(-c2ccc3ccc4c(-c5cccc(-c6cnco6)n5)ccc5ccc2c3c54)c1.c1cc(-c2cncs2)nc(-c2ccc3ccc4c(-c5cccc(-c6cncs6)n5)ccc5ccc2c3c54)c1
InChIInChI=1S/2C32H18N4O2.2C32H18N4S2/c1-3-25(35-27(5-1)29-15-33-17-37-29)21-11-7-19-10-14-24-22(12-8-20-9-13-23(21)31(19)32(20)24)26-4-2-6-28(36-26)30-16-34-18-38-30;1-3-25(35-27(5-1)29-17-33-18-38-29)23-13-19-7-9-21-15-24(16-22-10-8-20(14-23)30(19)31(21)22)26-4-2-6-28(36-26)32-34-11-12-37-32;1-3-25(35-27(5-1)29-15-33-17-37-29)21-11-7-19-10-14-24-22(12-8-20-9-13-23(21)31(19)32(20)24)26-4-2-6-28(36-26)30-16-34-18-38-30;1-3-25(35-27(5-1)29-17-33-18-38-29)23-13-19-7-9-21-15-24(16-22-10-8-20(14-23)30(19)31(21)22)26-4-2-6-28(36-26)32-34-11-12-37-32/h4*1-18H
InChIKeyKALOQYZOGLEFJR-UHFFFAOYSA-N
MW2026.36 g/mol
LogP33.95
Rot. Bonds16

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

2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole (PubChem CID 159077716) has the molecular formula C128H72N16O4S4 and a molecular weight of 2026.36 g/mol. Its IUPAC name is 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole
PubChem CID159077716
Molecular FormulaC128H72N16O4S4
Molecular Weight2026.36 g/mol
Exact Mass2024.48
IUPAC Name2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole
SMILESc1cc(-c2cc3ccc4cc(-c5cccc(-c6ncco6)n5)cc5ccc(c2)c3c45)nc(-c2cnco2)c1.c1cc(-c2cc3ccc4cc(-c5cccc(-c6nccs6)n5)cc5ccc(c2)c3c45)nc(-c2cncs2)c1.c1cc(-c2cnco2)nc(-c2ccc3ccc4c(-c5cccc(-c6cnco6)n5)ccc5ccc2c3c54)c1.c1cc(-c2cncs2)nc(-c2ccc3ccc4c(-c5cccc(-c6cncs6)n5)ccc5ccc2c3c54)c1
InChIInChI=1S/2C32H18N4O2.2C32H18N4S2/c1-3-25(35-27(5-1)29-15-33-17-37-29)21-11-7-19-10-14-24-22(12-8-20-9-13-23(21)31(19)32(20)24)26-4-2-6-28(36-26)30-16-34-18-38-30;1-3-25(35-27(5-1)29-17-33-18-38-29)23-13-19-7-9-21-15-24(16-22-10-8-20(14-23)30(19)31(21)22)26-4-2-6-28(36-26)32-34-11-12-37-32;1-3-25(35-27(5-1)29-15-33-17-37-29)21-11-7-19-10-14-24-22(12-8-20-9-13-23(21)31(19)32(20)24)26-4-2-6-28(36-26)30-16-34-18-38-30;1-3-25(35-27(5-1)29-17-33-18-38-29)23-13-19-7-9-21-15-24(16-22-10-8-20(14-23)30(19)31(21)22)26-4-2-6-28(36-26)32-34-11-12-37-32/h4*1-18H
InChIKeyKALOQYZOGLEFJR-UHFFFAOYSA-N
XLogP33.95
TPSA258.80 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002026.36
LogP ≤ 533.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole (CID 159077716) is 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole is c1cc(-c2cc3ccc4cc(-c5cccc(-c6ncco6)n5)cc5ccc(c2)c3c45)nc(-c2cnco2)c1.c1cc(-c2cc3ccc4cc(-c5cccc(-c6nccs6)n5)cc5ccc(c2)c3c45)nc(-c2cncs2)c1.c1cc(-c2cnco2)nc(-c2ccc3ccc4c(-c5cccc(-c6cnco6)n5)ccc5ccc2c3c54)c1.c1cc(-c2cncs2)nc(-c2ccc3ccc4c(-c5cccc(-c6cncs6)n5)ccc5ccc2c3c54)c1.
What is the InChIKey of 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole?
The InChIKey is KALOQYZOGLEFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H18N4O2.2C32H18N4S2/c1-3-25(35-27(5-1)29-15-33-17-37-29)21-11-7-19-10-14-24-22(12-8-20-9-13-23(21)31(19)32(20)24)26-4-2-6-28(36-26)30-16-34-18-38-30;1-3-25(35-27(5-1)29-17-33-18-38-29)23-13-19-7-9-21-15-24(16-22-10-8-20(14-23)30(19)31(21)22)26-4-2-6-28(36-26)32-34-11-12-37-32;1-3-25(35-27(5-1)29-15-33-17-37-29)21-11-7-19-10-14-24-22(12-8-20-9-13-23(21)31(19)32(20)24)26-4-2-6-28(36-26)30-16-34-18-38-30;1-3-25(35-27(5-1)29-17-33-18-38-29)23-13-19-7-9-21-15-24(16-22-10-8-20(14-23)30(19)31(21)22)26-4-2-6-28(36-26)32-34-11-12-37-32/h4*1-18H.
What are the key properties of 2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole?
2-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-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-[6-[7-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-oxazole;5-[6-[6-[6-(1,3-oxazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-oxazole;2-[6-[7-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-2-yl]-2-pyridinyl]-1,3-thiazole;5-[6-[6-[6-(1,3-thiazol-5-yl)-2-pyridinyl]pyren-1-yl]-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 159077716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).