benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)

C60H22F32S4 — CID 139145885

About benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)

benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene) (PubChem CID 139145885) has the molecular formula C60H22F32S4 and a molecular weight of 1479.04 g/mol. Its IUPAC name is benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene).

Molecular Properties

• Compound Name: benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)
• PubChem CID: 139145885
• Molecular Formula: C60H22F32S4
• Molecular Weight: 1479.04 g/mol
• Exact Mass: 1478.01
• IUPAC Name: benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)
• SMILES: Cc1sc(-c2c(F)c(F)c(F)c(F)c2F)cc1C1=C(c2cc(-c3c(F)c(F)c(F)c(F)c3F)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2c(F)c(F)c(F)c(F)c2F)cc1C1=C(c2cc(-c3c(F)c(F)c(F)c(F)c3F)sc2C)C(F)(F)C(F)(F)C1(F)F.c1ccccc1
• InChI: InChI=1S/2C27H8F16S2.C6H6/c2*1-5-7(3-9(44-5)11-15(28)19(32)23(36)20(33)16(11)29)13-14(26(40,41)27(42,43)25(13,38)39)8-4-10(45-6(8)2)12-17(30)21(34)24(37)22(35)18(12)31;1-2-4-6-5-3-1/h2*3-4H,1-2H3;1-6H
• InChIKey: DSDLEIGRNIFUBC-UHFFFAOYSA-N
• XLogP: 23.65
• TPSA: 0.00 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1479.04
LogP ≤ 5	23.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)?

The IUPAC name of benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene) (CID 139145885) is benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene).

What is the SMILES notation for benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)?

The canonical SMILES for benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene) is Cc1sc(-c2c(F)c(F)c(F)c(F)c2F)cc1C1=C(c2cc(-c3c(F)c(F)c(F)c(F)c3F)sc2C)C(F)(F)C(F)(F)C1(F)F.Cc1sc(-c2c(F)c(F)c(F)c(F)c2F)cc1C1=C(c2cc(-c3c(F)c(F)c(F)c(F)c3F)sc2C)C(F)(F)C(F)(F)C1(F)F.c1ccccc1.

What is the InChIKey of benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)?

The InChIKey is DSDLEIGRNIFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H8F16S2.C6H6/c2*1-5-7(3-9(44-5)11-15(28)19(32)23(36)20(33)16(11)29)13-14(26(40,41)27(42,43)25(13,38)39)8-4-10(45-6(8)2)12-17(30)21(34)24(37)22(35)18(12)31;1-2-4-6-5-3-1/h2*3-4H,1-2H3;1-6H.

What are the key properties of benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene)?

benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene) has a molecular weight of 1479.04 g/mol, XLogP of 23.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis(3-[3,3,4,4,5,5-hexafluoro-2-[2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophen-3-yl]cyclopenten-1-yl]-2-methyl-5-(2,3,4,5,6-pentafluorophenyl)thiophene) is sourced from PubChem (CID 139145885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).