3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione

C96H148F2N2O2S4 — CID 154607816

About 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione

3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione (PubChem CID 154607816) has the molecular formula C96H148F2N2O2S4 and a molecular weight of 1528.52 g/mol. Its IUPAC name is 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione
• PubChem CID: 154607816
• Molecular Formula: C96H148F2N2O2S4
• Molecular Weight: 1528.52 g/mol
• Exact Mass: 1527.04
• IUPAC Name: 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione
• SMILES: CCCCCCCCCCCCC(CCCCCCCCCC)Cc1cc(-c2cc3c(cc(-c4cc(CC(CCCCCCCCCC)CCCCCCCCCCCC)c(-c5ccc(-c6cc(F)c(-c7ccc(C)s7)cc6F)s5)s4)c(=O)n3CCCCCCCC)n(CCCCCCCC)c2=O)sc1C
• InChI: InChI=1S/C96H148F2N2O2S4/c1-9-15-21-27-33-37-39-43-47-52-58-77(57-51-45-41-35-29-23-17-11-3)67-79-69-92(104-76(79)8)83-73-87-88(99(95(83)101)65-55-49-31-25-19-13-5)74-84(96(102)100(87)66-56-50-32-26-20-14-6)93-70-80(68-78(59-53-46-42-36-30-24-18-12-4)60-54-48-44-40-38-34-28-22-16-10-2)94(106-93)91-64-63-90(105-91)82-72-85(97)81(71-86(82)98)89-62-61-75(7)103-89/h61-64,69-74,77-78H,9-60,65-68H2,1-8H3
• InChIKey: VFPRAYDQHHODKT-UHFFFAOYSA-N
• XLogP: 33.36
• TPSA: 44.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 63
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1528.52
LogP ≤ 5	33.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione?

The IUPAC name of 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione (CID 154607816) is 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione.

What is the SMILES notation for 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione?

The canonical SMILES for 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione is CCCCCCCCCCCCC(CCCCCCCCCC)Cc1cc(-c2cc3c(cc(-c4cc(CC(CCCCCCCCCC)CCCCCCCCCCCC)c(-c5ccc(-c6cc(F)c(-c7ccc(C)s7)cc6F)s5)s4)c(=O)n3CCCCCCCC)n(CCCCCCCC)c2=O)sc1C.

What is the InChIKey of 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione?

The InChIKey is VFPRAYDQHHODKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H148F2N2O2S4/c1-9-15-21-27-33-37-39-43-47-52-58-77(57-51-45-41-35-29-23-17-11-3)67-79-69-92(104-76(79)8)83-73-87-88(99(95(83)101)65-55-49-31-25-19-13-5)74-84(96(102)100(87)66-56-50-32-26-20-14-6)93-70-80(68-78(59-53-46-42-36-30-24-18-12-4)60-54-48-44-40-38-34-28-22-16-10-2)94(106-93)91-64-63-90(105-91)82-72-85(97)81(71-86(82)98)89-62-61-75(7)103-89/h61-64,69-74,77-78H,9-60,65-68H2,1-8H3.

What are the key properties of 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione?

3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione has a molecular weight of 1528.52 g/mol, XLogP of 33.36, 63 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-decyltetradecyl)-5-[5-[2,5-difluoro-4-(5-methylthiophen-2-yl)phenyl]thiophen-2-yl]thiophen-2-yl]-7-[4-(2-decyltetradecyl)-5-methylthiophen-2-yl]-1,5-dioctyl-1,5-naphthyridine-2,6-dione is sourced from PubChem (CID 154607816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).