[5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

C80H24B2F40S5 — CID 87435777

About [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)

[5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (PubChem CID 87435777) has the molecular formula C80H24B2F40S5 and a molecular weight of 1926.95 g/mol. Its IUPAC name is [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

Molecular Properties

• Compound Name: [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
• PubChem CID: 87435777
• Molecular Formula: C80H24B2F40S5
• Molecular Weight: 1926.95 g/mol
• Exact Mass: 1926.00
• IUPAC Name: [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)
• SMILES: Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)s3)s2)cc1
• InChI: InChI=1S/C32H24S5.2C24BF20/c1-5-13-25(14-6-1)36(26-15-7-2-8-16-26)31-23-21-29(34-31)33-30-22-24-32(35-30)37(27-17-9-3-10-18-27)28-19-11-4-12-20-28;2*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h1-24H;;/q+2;2*-1
• InChIKey: OVJFCDKOWUQDDF-UHFFFAOYSA-N
• XLogP: 21.84
• TPSA: 0.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1926.95
LogP ≤ 5	21.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The IUPAC name of [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) (CID 87435777) is [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide).

What is the SMILES notation for [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The canonical SMILES for [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)s3)s2)cc1.

What is the InChIKey of [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

The InChIKey is OVJFCDKOWUQDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24S5.2C24BF20/c1-5-13-25(14-6-1)36(26-15-7-2-8-16-26)31-23-21-29(34-31)33-30-22-24-32(35-30)37(27-17-9-3-10-18-27)28-19-11-4-12-20-28;2*26-5-1(6(27)14(35)21(42)13(5)34)25(2-7(28)15(36)22(43)16(37)8(2)29,3-9(30)17(38)23(44)18(39)10(3)31)4-11(32)19(40)24(45)20(41)12(4)33/h1-24H;;/q+2;2*-1.

What are the key properties of [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide)?

[5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) has a molecular weight of 1926.95 g/mol, XLogP of 21.84, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-(5-diphenylsulfoniothiophen-2-yl)sulfanylthiophen-2-yl]-diphenylsulfanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide) is sourced from PubChem (CID 87435777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).