diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate

C119H103F6O20PS2 — CID 158800050

About diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate

diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate (PubChem CID 158800050) has the molecular formula C119H103F6O20PS2 and a molecular weight of 2062.21 g/mol. Its IUPAC name is diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate.

Molecular Properties

• Compound Name: diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate
• PubChem CID: 158800050
• Molecular Formula: C119H103F6O20PS2
• Molecular Weight: 2062.21 g/mol
• Exact Mass: 2060.61
• IUPAC Name: diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate
• SMILES: CCC1(COCOc2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)Oc5ccc6ccccc6c5-c5c(OC(=O)c6ccc(-c7ccc(OC(=O)c8ccc(OCOCC9(CC)COC9)cc8)cc7)cc6)ccc6ccccc56)cc4)cc3)cc2)COC1.F[P-](F)(F)(F)(F)F.O=C(Oc1ccc(OCCC2CO2)cc1)c1ccc(OCCC2CO2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1
• InChI: InChI=1S/C74H62O14.C24H19S2.C21H22O6.F6P/c1-3-73(41-79-42-73)45-81-47-83-59-31-25-57(26-32-59)69(75)85-61-35-21-51(22-36-61)49-13-17-55(18-14-49)71(77)87-65-39-29-53-9-5-7-11-63(53)67(65)68-64-12-8-6-10-54(64)30-40-66(68)88-72(78)56-19-15-50(16-20-56)52-23-37-62(38-24-52)86-70(76)58-27-33-60(34-28-58)84-48-82-46-74(4-2)43-80-44-74;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;22-21(15-1-3-16(4-2-15)23-11-9-19-13-25-19)27-18-7-5-17(6-8-18)24-12-10-20-14-26-20;1-7(2,3,4,5)6/h5-40H,3-4,41-48H2,1-2H3;1-19H;1-8,19-20H,9-14H2;/q;+1;;-1
• InChIKey: CIQXAOFVMNRXIK-UHFFFAOYSA-N
• XLogP: 28.99
• TPSA: 230.40 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 38
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2062.21
LogP ≤ 5	28.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate?

The IUPAC name of diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate (CID 158800050) is diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate.

What is the SMILES notation for diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate?

The canonical SMILES for diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate is CCC1(COCOc2ccc(C(=O)Oc3ccc(-c4ccc(C(=O)Oc5ccc6ccccc6c5-c5c(OC(=O)c6ccc(-c7ccc(OC(=O)c8ccc(OCOCC9(CC)COC9)cc8)cc7)cc6)ccc6ccccc56)cc4)cc3)cc2)COC1.F[P-](F)(F)(F)(F)F.O=C(Oc1ccc(OCCC2CO2)cc1)c1ccc(OCCC2CO2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.

What is the InChIKey of diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate?

The InChIKey is CIQXAOFVMNRXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H62O14.C24H19S2.C21H22O6.F6P/c1-3-73(41-79-42-73)45-81-47-83-59-31-25-57(26-32-59)69(75)85-61-35-21-51(22-36-61)49-13-17-55(18-14-49)71(77)87-65-39-29-53-9-5-7-11-63(53)67(65)68-64-12-8-6-10-54(64)30-40-66(68)88-72(78)56-19-15-50(16-20-56)52-23-37-62(38-24-52)86-70(76)58-27-33-60(34-28-58)84-48-82-46-74(4-2)43-80-44-74;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;22-21(15-1-3-16(4-2-15)23-11-9-19-13-25-19)27-18-7-5-17(6-8-18)24-12-10-20-14-26-20;1-7(2,3,4,5)6/h5-40H,3-4,41-48H2,1-2H3;1-19H;1-8,19-20H,9-14H2;/q;+1;;-1.

What are the key properties of diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate?

diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate has a molecular weight of 2062.21 g/mol, XLogP of 28.99, 38 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for diphenyl-(4-phenylsulfanylphenyl)sulfanium;[1-[2-[4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoyl]oxynaphthalen-1-yl]naphthalen-2-yl] 4-[4-[4-[(3-ethyloxetan-3-yl)methoxymethoxy]benzoyl]oxyphenyl]benzoate;[4-[2-(oxiran-2-yl)ethoxy]phenyl] 4-[2-(oxiran-2-yl)ethoxy]benzoate;hexafluorophosphate is sourced from PubChem (CID 158800050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).