2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate

C162H144N4O6S2Si2 — CID 157198759

About 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate

2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate (PubChem CID 157198759) has the molecular formula C162H144N4O6S2Si2 and a molecular weight of 2363.26 g/mol. Its IUPAC name is 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate.

Molecular Properties

• Compound Name: 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate
• PubChem CID: 157198759
• Molecular Formula: C162H144N4O6S2Si2
• Molecular Weight: 2363.26 g/mol
• Exact Mass: 2361.01
• IUPAC Name: 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate
• SMILES: CCCCCCC(=O)Oc1cc(C)c2ccc3c(C)cc(OC(=O)CCCCCC)c4ccc1c2c34.Cc1cc(-c2ccc[nH]2)c2ccc3c(-c4ccc[nH]4)cc(C)c4ccc1c2c43.Cc1cc(-c2ccccn2)c2ccc3c(-c4ccccn4)cc(C)c4ccc1c2c43.Cc1cc(-c2ccco2)c2ccc3c(-c4ccco4)cc(C)c4ccc1c2c43.Cc1cc(-c2cccs2)c2ccc3c(-c4cccs4)cc(C)c4ccc1c2c43.Cc1cc([Si](C)(C)C)c2ccc3c([Si](C)(C)C)cc(C)c4ccc1c2c43
• InChI: InChI=1S/C32H38O4.C28H20N2.C26H20N2.C26H18O2.C26H18S2.C24H30Si2/c1-5-7-9-11-13-29(33)35-27-19-21(3)23-15-16-24-22(4)20-28(36-30(34)14-12-10-8-6-2)26-18-17-25(27)31(23)32(24)26;1-17-15-23(25-7-3-5-13-29-25)21-11-12-22-24(26-8-4-6-14-30-26)16-18(2)20-10-9-19(17)27(21)28(20)22;3*1-15-13-21(23-5-3-11-27-23)19-9-10-20-22(24-6-4-12-28-24)14-16(2)18-8-7-17(15)25(19)26(18)20;1-15-13-21(25(3,4)5)19-11-12-20-22(26(6,7)8)14-16(2)18-10-9-17(15)23(19)24(18)20/h15-20H,5-14H2,1-4H3;3-16H,1-2H3;3-14,27-28H,1-2H3;2*3-14H,1-2H3;9-14H,1-8H3
• InChIKey: AQOAKADBTQJNGH-UHFFFAOYSA-N
• XLogP: 46.14
• TPSA: 136.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2363.26
LogP ≤ 5	46.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate?

The IUPAC name of 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate (CID 157198759) is 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate.

What is the SMILES notation for 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate?

The canonical SMILES for 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate is CCCCCCC(=O)Oc1cc(C)c2ccc3c(C)cc(OC(=O)CCCCCC)c4ccc1c2c34.Cc1cc(-c2ccc[nH]2)c2ccc3c(-c4ccc[nH]4)cc(C)c4ccc1c2c43.Cc1cc(-c2ccccn2)c2ccc3c(-c4ccccn4)cc(C)c4ccc1c2c43.Cc1cc(-c2ccco2)c2ccc3c(-c4ccco4)cc(C)c4ccc1c2c43.Cc1cc(-c2cccs2)c2ccc3c(-c4cccs4)cc(C)c4ccc1c2c43.Cc1cc([Si](C)(C)C)c2ccc3c([Si](C)(C)C)cc(C)c4ccc1c2c43.

What is the InChIKey of 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate?

The InChIKey is AQOAKADBTQJNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O4.C28H20N2.C26H20N2.C26H18O2.C26H18S2.C24H30Si2/c1-5-7-9-11-13-29(33)35-27-19-21(3)23-15-16-24-22(4)20-28(36-30(34)14-12-10-8-6-2)26-18-17-25(27)31(23)32(24)26;1-17-15-23(25-7-3-5-13-29-25)21-11-12-22-24(26-8-4-6-14-30-26)16-18(2)20-10-9-19(17)27(21)28(20)22;3*1-15-13-21(23-5-3-11-27-23)19-9-10-20-22(24-6-4-12-28-24)14-16(2)18-8-7-17(15)25(19)26(18)20;1-15-13-21(25(3,4)5)19-11-12-20-22(26(6,7)8)14-16(2)18-10-9-17(15)23(19)24(18)20/h15-20H,5-14H2,1-4H3;3-16H,1-2H3;3-14,27-28H,1-2H3;2*3-14H,1-2H3;9-14H,1-8H3.

What are the key properties of 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate?

2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate has a molecular weight of 2363.26 g/mol, XLogP of 46.14, 22 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,6-dimethyl-8-pyridin-2-ylpyren-1-yl)pyridine;2-[3,6-dimethyl-8-(1H-pyrrol-2-yl)pyren-1-yl]-1H-pyrrole;2-(3,6-dimethyl-8-thiophen-2-ylpyren-1-yl)thiophene;(3,6-dimethyl-8-trimethylsilylpyren-1-yl)-trimethylsilane;2-[8-(furan-2-yl)-3,6-dimethylpyren-1-yl]furan;(8-heptanoyloxy-3,6-dimethylpyren-1-yl) heptanoate is sourced from PubChem (CID 157198759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).