1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene

C38H24F6OS — CID 87252634

IUPAC1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene
SMILESO=S(C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C38H24F6OS/c39-31-13-1-25(2-14-31)37(26-3-15-32(40)16-4-26,27-5-17-33(41)18-6-27)46(45)38(28-7-19-34(42)20-8-28,29-9-21-35(43)22-10-29)30-11-23-36(44)24-12-30/h1-24H
InChIKeyVIXRYTDPKNEJED-UHFFFAOYSA-N
MW642.66 g/mol
LogP9.55
Rot. Bonds8

About 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene

1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene (PubChem CID 87252634) has the molecular formula C38H24F6OS and a molecular weight of 642.66 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene
PubChem CID87252634
Molecular FormulaC38H24F6OS
Molecular Weight642.66 g/mol
Exact Mass642.15
IUPAC Name1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene
SMILESO=S(C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C38H24F6OS/c39-31-13-1-25(2-14-31)37(26-3-15-32(40)16-4-26,27-5-17-33(41)18-6-27)46(45)38(28-7-19-34(42)20-8-28,29-9-21-35(43)22-10-29)30-11-23-36(44)24-12-30/h1-24H
InChIKeyVIXRYTDPKNEJED-UHFFFAOYSA-N
XLogP9.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.66
LogP ≤ 59.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene?
The IUPAC name of 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene (CID 87252634) is 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene.
What is the SMILES notation for 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene?
The canonical SMILES for 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene is O=S(C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene?
The InChIKey is VIXRYTDPKNEJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24F6OS/c39-31-13-1-25(2-14-31)37(26-3-15-32(40)16-4-26,27-5-17-33(41)18-6-27)46(45)38(28-7-19-34(42)20-8-28,29-9-21-35(43)22-10-29)30-11-23-36(44)24-12-30/h1-24H.
What are the key properties of 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene?
1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene has a molecular weight of 642.66 g/mol, XLogP of 9.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(4-fluorophenyl)-[tris(4-fluorophenyl)methylsulfinyl]methyl]-4-fluorobenzene is sourced from PubChem (CID 87252634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).