4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline

C64H58F12N4S4Si2 — CID 101484664

About 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline

4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline (PubChem CID 101484664) has the molecular formula C64H58F12N4S4Si2 and a molecular weight of 1295.61 g/mol. Its IUPAC name is 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline
• PubChem CID: 101484664
• Molecular Formula: C64H58F12N4S4Si2
• Molecular Weight: 1295.61 g/mol
• Exact Mass: 1294.29
• IUPAC Name: 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline
• SMILES: Cc1sc([Si](C)(C)C)cc1C1=C(c2cc(-c3ccc(N(C)C)cc3)sc2/C=C/c2ccnc(-c3cc(/C=C/c4sc(-c5ccc(N(C)C)cc5)cc4C4=C(c5cc([Si](C)(C)C)sc5C)C(F)(F)C(F)(F)C4(F)F)ccn3)c2)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C64H58F12N4S4Si2/c1-35-43(33-53(81-35)85(7,8)9)55-57(61(69,70)63(73,74)59(55,65)66)45-31-51(39-15-19-41(20-16-39)79(3)4)83-49(45)23-13-37-25-27-77-47(29-37)48-30-38(26-28-78-48)14-24-50-46(32-52(84-50)40-17-21-42(22-18-40)80(5)6)58-56(60(67,68)64(75,76)62(58,71)72)44-34-54(82-36(44)2)86(10,11)12/h13-34H,1-12H3/b23-13+,24-14+
• InChIKey: NDQMRGKXJRNIQM-RNIAWFEPSA-N
• XLogP: 19.56
• TPSA: 32.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1295.61
LogP ≤ 5	19.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline?

The IUPAC name of 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline (CID 101484664) is 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline.

What is the SMILES notation for 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline?

The canonical SMILES for 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline is Cc1sc([Si](C)(C)C)cc1C1=C(c2cc(-c3ccc(N(C)C)cc3)sc2/C=C/c2ccnc(-c3cc(/C=C/c4sc(-c5ccc(N(C)C)cc5)cc4C4=C(c5cc([Si](C)(C)C)sc5C)C(F)(F)C(F)(F)C4(F)F)ccn3)c2)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline?

The InChIKey is NDQMRGKXJRNIQM-RNIAWFEPSA-N. The full InChI is InChI=1S/C64H58F12N4S4Si2/c1-35-43(33-53(81-35)85(7,8)9)55-57(61(69,70)63(73,74)59(55,65)66)45-31-51(39-15-19-41(20-16-39)79(3)4)83-49(45)23-13-37-25-27-77-47(29-37)48-30-38(26-28-78-48)14-24-50-46(32-52(84-50)40-17-21-42(22-18-40)80(5)6)58-56(60(67,68)64(75,76)62(58,71)72)44-34-54(82-36(44)2)86(10,11)12/h13-34H,1-12H3/b23-13+,24-14+.

What are the key properties of 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline?

4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline has a molecular weight of 1295.61 g/mol, XLogP of 19.56, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[(E)-2-[2-[4-[(E)-2-[5-[4-(dimethylamino)phenyl]-3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]-4-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-trimethylsilylthiophen-3-yl)cyclopenten-1-yl]thiophen-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 101484664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).