pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium

C163H119F45O34S26+6 — CID 161095871

IUPACpentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
SMILESCC(=O)c1ccc(Sc2ccc([S+](c3ccc(Sc4ccc(C(C)=O)cc4)cc3)c3ccc(Sc4ccc(C(C)=O)cc4)cc3)cc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H33O3S4.C36H28S3.C24H19S2.C23H19OS.C18H15S.5C4HF9O6S3/c1-28(43)31-4-10-34(11-5-31)46-37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-35-12-6-32(7-13-35)29(2)44)42-26-20-39(21-27-42)48-36-14-8-33(9-15-36)30(3)45;1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;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;1-24-22-16-17-23(21-15-9-8-14-20(21)22)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13/h4-27H,1-3H3;1-28H;1-19H;2-17H,1H3;1-15H;5*1H/q+1;+2;3*+1;;;;;
InChIKeyUHUALNSRLYNDTH-UHFFFAOYSA-N
MW4310.36 g/mol
LogP44.90
Rot. Bonds47

About pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium

pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium (PubChem CID 161095871) has the molecular formula C163H119F45O34S26+6 and a molecular weight of 4310.36 g/mol. Its IUPAC name is pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium.

Molecular Properties

Compound Namepentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
PubChem CID161095871
Molecular FormulaC163H119F45O34S26+6
Molecular Weight4310.36 g/mol
Exact Mass4305.96
IUPAC Namepentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
SMILESCC(=O)c1ccc(Sc2ccc([S+](c3ccc(Sc4ccc(C(C)=O)cc4)cc3)c3ccc(Sc4ccc(C(C)=O)cc4)cc3)cc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C42H33O3S4.C36H28S3.C24H19S2.C23H19OS.C18H15S.5C4HF9O6S3/c1-28(43)31-4-10-34(11-5-31)46-37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-35-12-6-32(7-13-35)29(2)44)42-26-20-39(21-27-42)48-36-14-8-33(9-15-36)30(3)45;1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;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;1-24-22-16-17-23(21-15-9-8-14-20(21)22)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13/h4-27H,1-3H3;1-28H;1-19H;2-17H,1H3;1-15H;5*1H/q+1;+2;3*+1;;;;;
InChIKeyUHUALNSRLYNDTH-UHFFFAOYSA-N
XLogP44.90
TPSA572.54 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds47
Heavy Atoms268
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004310.36
LogP ≤ 544.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium with MolForge

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Related Compounds

[1-(4-Butoxynaphthalen-1-yl)thiolan-1-yl] 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;[1-(2-naphthalen-2-yl-2-oxoethyl)thiolan-1-yl] trifluoromethanesulfonate
CID 139973418
[[5-[4-[5-Methoxy-2-[2-(trifluoromethyl)phenyl]sulfanylphenyl]phenyl]sulfanyl-2-methylphenyl]-phenylmethylidene]oxidanium hexafluorophosphate
CID 139989836
[[4-(2-Benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139989844
[[4-(3-Benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139989853
[[4-(3-Benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139989868
[[4-(2-Benzoyl-3-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] methanesulfonate
CID 139989890
[[4-(3-Benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] perchlorate
CID 139989895
[[4-(2-Benzoyl-3-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 4-methylbenzenesulfonate
CID 139989896
[[4-(3-Benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 4-methylbenzenesulfonate
CID 139989920
[[4-(2-Benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]-lambda4-sulfanyl] methanesulfonate
CID 139989923
[[4-(3-Benzoyl-4-methylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]-lambda4-sulfanyl] 4-methylbenzenesulfonate
CID 139989929
[[4-(3-Benzoylphenyl)sulfanylphenyl]-(4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]-lambda4-sulfanyl] methanesulfonate
CID 139989930

Frequently Asked Questions

What is the IUPAC name of pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium?
The IUPAC name of pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium (CID 161095871) is pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium.
What is the SMILES notation for pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium?
The canonical SMILES for pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium is CC(=O)c1ccc(Sc2ccc([S+](c3ccc(Sc4ccc(C(C)=O)cc4)cc3)c3ccc(Sc4ccc(C(C)=O)cc4)cc3)cc2)cc1.COc1ccc([S+](c2ccccc2)c2ccccc2)c2ccccc12.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)(C(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)C(F)(F)F.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium?
The InChIKey is UHUALNSRLYNDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33O3S4.C36H28S3.C24H19S2.C23H19OS.C18H15S.5C4HF9O6S3/c1-28(43)31-4-10-34(11-5-31)46-37-16-22-40(23-17-37)49(41-24-18-38(19-25-41)47-35-12-6-32(7-13-35)29(2)44)42-26-20-39(21-27-42)48-36-14-8-33(9-15-36)30(3)45;1-5-13-31(14-6-1)38(32-15-7-2-8-16-32)35-25-21-29(22-26-35)37-30-23-27-36(28-24-30)39(33-17-9-3-10-18-33)34-19-11-4-12-20-34;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;1-24-22-16-17-23(21-15-9-8-14-20(21)22)25(18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13/h4-27H,1-3H3;1-28H;1-19H;2-17H,1H3;1-15H;5*1H/q+1;+2;3*+1;;;;;.
What are the key properties of pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium?
pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium has a molecular weight of 4310.36 g/mol, XLogP of 44.90, 47 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(bis(trifluoromethylsulfonyl)methylsulfonyl-trifluoromethane);diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methoxynaphthalen-1-yl)-diphenylsulfanium;triphenylsulfanium;tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium is sourced from PubChem (CID 161095871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).