ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene

C277H284F6O55S15 — CID 157177279

IUPACethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc4cc(OCc5ccccc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(OCc5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(OCc4ccccc4)c4ccccc34)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(OCc5ccccc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4ccc(OCc5ccccc5)cc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(OCc5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C35H26F6O4S.C35H32O4S.C32H26O4S.C31H24O3.4C30H24O4S.8C2H6.8CH4O3S/c1-24-7-19-31(20-8-24)46(42,43)32-21-17-30(18-22-32)45-29-15-11-27(12-16-29)33(34(36,37)38,35(39,40)41)26-9-13-28(14-10-26)44-23-25-5-3-2-4-6-25;1-26-9-21-33(22-10-26)40(36,37)34-23-19-32(20-24-34)39-31-17-13-29(14-18-31)35(2,3)28-11-15-30(16-12-28)38-25-27-7-5-4-6-8-27;1-24-7-19-31(20-8-24)37(33,34)32-21-17-30(18-22-32)36-29-15-11-27(12-16-29)26-9-13-28(14-10-26)35-23-25-5-3-2-4-6-25;1-22-7-9-24(10-8-22)31(32)25-11-15-28(16-12-25)34-30-18-14-26-19-29(17-13-27(26)20-30)33-21-23-5-3-2-4-6-23;1-22-13-17-25(18-14-22)35(31,32)26-19-15-24(16-20-26)34-30-12-6-9-27-28(30)10-5-11-29(27)33-21-23-7-3-2-4-8-23;1-22-11-15-25(16-12-22)35(31,32)26-17-13-24(14-18-26)34-30-20-19-29(27-9-5-6-10-28(27)30)33-21-23-7-3-2-4-8-23;1-22-7-15-29(16-8-22)35(31,32)30-17-13-26(14-18-30)34-28-12-10-24-19-27(11-9-25(24)20-28)33-21-23-5-3-2-4-6-23;1-22-7-15-29(16-8-22)35(31,32)30-17-13-26(14-18-30)34-28-12-10-24-9-11-27(19-25(24)20-28)33-21-23-5-3-2-4-6-23;8*1-2;8*1-5(2,3)4/h2-22H,23H2,1H3;4-24H,25H2,1-3H3;2-22H,23H2,1H3;2-20H,21H2,1H3;4*2-20H,21H2,1H3;8*1-2H3;8*1H3,(H,2,3,4)
InChIKeyJTALJCRPMGTQCE-UHFFFAOYSA-N
MW5088.26 g/mol
LogP67.40
Rot. Bonds61

About ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene

ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene (PubChem CID 157177279) has the molecular formula C277H284F6O55S15 and a molecular weight of 5088.26 g/mol. Its IUPAC name is ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene.

Molecular Properties

Compound Nameethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene
PubChem CID157177279
Molecular FormulaC277H284F6O55S15
Molecular Weight5088.26 g/mol
Exact Mass5083.51
IUPAC Nameethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc4cc(OCc5ccccc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(OCc5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(OCc4ccccc4)c4ccccc34)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(OCc5ccccc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4ccc(OCc5ccccc5)cc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(OCc5ccccc5)cccc34)cc2)cc1
InChIInChI=1S/C35H26F6O4S.C35H32O4S.C32H26O4S.C31H24O3.4C30H24O4S.8C2H6.8CH4O3S/c1-24-7-19-31(20-8-24)46(42,43)32-21-17-30(18-22-32)45-29-15-11-27(12-16-29)33(34(36,37)38,35(39,40)41)26-9-13-28(14-10-26)44-23-25-5-3-2-4-6-25;1-26-9-21-33(22-10-26)40(36,37)34-23-19-32(20-24-34)39-31-17-13-29(14-18-31)35(2,3)28-11-15-30(16-12-28)38-25-27-7-5-4-6-8-27;1-24-7-19-31(20-8-24)37(33,34)32-21-17-30(18-22-32)36-29-15-11-27(12-16-29)26-9-13-28(14-10-26)35-23-25-5-3-2-4-6-25;1-22-7-9-24(10-8-22)31(32)25-11-15-28(16-12-25)34-30-18-14-26-19-29(17-13-27(26)20-30)33-21-23-5-3-2-4-6-23;1-22-13-17-25(18-14-22)35(31,32)26-19-15-24(16-20-26)34-30-12-6-9-27-28(30)10-5-11-29(27)33-21-23-7-3-2-4-8-23;1-22-11-15-25(16-12-22)35(31,32)26-17-13-24(14-18-26)34-30-20-19-29(27-9-5-6-10-28(27)30)33-21-23-7-3-2-4-8-23;1-22-7-15-29(16-8-22)35(31,32)30-17-13-26(14-18-30)34-28-12-10-24-19-27(11-9-25(24)20-28)33-21-23-5-3-2-4-6-23;1-22-7-15-29(16-8-22)35(31,32)30-17-13-26(14-18-30)34-28-12-10-24-9-11-27(19-25(24)20-28)33-21-23-5-3-2-4-6-23;8*1-2;8*1-5(2,3)4/h2-22H,23H2,1H3;4-24H,25H2,1-3H3;2-22H,23H2,1H3;2-20H,21H2,1H3;4*2-20H,21H2,1H3;8*1-2H3;8*1H3,(H,2,3,4)
InChIKeyJTALJCRPMGTQCE-UHFFFAOYSA-N
XLogP67.40
TPSA838.69 Ų
H-Bond Donors8
H-Bond Acceptors47
Rotatable Bonds61
Heavy Atoms353
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005088.26
LogP ≤ 567.40
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1047

Analyze ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene with MolForge

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Related Compounds

[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 57737974
4-[2-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenoxy]-5-methoxyphenyl]benzenesulfonic acid
CID 57822743
3-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]sulfanylpropane-1-sulfonic acid
CID 58693264
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-[4-[4-methyl-3-[3-(trioxidanylsulfanyl)benzoyl]phenyl]benzoyl]phenoxy]phenyl]propan-2-yl]phenoxy]butyl]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 58769498
3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]benzenesulfonic acid
CID 58795298
[3-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenyl]butoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl] hydrogen sulfite
CID 58795320
5-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]-3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-2-sulfophenoxy]benzoyl]phenoxy]-3-(trioxidanylsulfanyl)phenyl]propan-2-yl]-2-methoxybenzenesulfonic acid
CID 58922238
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 59165225
4-[2-[2-[[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]methyl]-5-methylphenoxy]ethyl]benzene-1,3-disulfonic acid
CID 59648734
4-[4-[5-[4-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]-2-methylbenzoyl]phenyl]-3-(trioxidanylsulfanyl)benzenesulfonic acid
CID 59816949
(4-Methylphenyl)-[4-[4-[1,1,1-trifluoro-2-[4-[4-[4-[4-[1,1,1-trifluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]methanone
CID 88564613
[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-[4-(4-methylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]-(4-methylphenyl)methanone;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[4-(4-methylphenyl)sulfonylphenoxy]phenyl]propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene
CID 91161784

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene?
The IUPAC name of ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene (CID 157177279) is ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene.
What is the SMILES notation for ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene?
The canonical SMILES for ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene is CC.CC.CC.CC.CC.CC.CC.CC.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)c2ccc(Oc3ccc4cc(OCc5ccccc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OCc5ccccc5)cc4)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(c4ccc(OCc5ccccc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc(OCc4ccccc4)c4ccccc34)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4cc(OCc5ccccc5)ccc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3ccc4ccc(OCc5ccccc5)cc4c3)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(Oc3cccc4c(OCc5ccccc5)cccc34)cc2)cc1.
What is the InChIKey of ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene?
The InChIKey is JTALJCRPMGTQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26F6O4S.C35H32O4S.C32H26O4S.C31H24O3.4C30H24O4S.8C2H6.8CH4O3S/c1-24-7-19-31(20-8-24)46(42,43)32-21-17-30(18-22-32)45-29-15-11-27(12-16-29)33(34(36,37)38,35(39,40)41)26-9-13-28(14-10-26)44-23-25-5-3-2-4-6-25;1-26-9-21-33(22-10-26)40(36,37)34-23-19-32(20-24-34)39-31-17-13-29(14-18-31)35(2,3)28-11-15-30(16-12-28)38-25-27-7-5-4-6-8-27;1-24-7-19-31(20-8-24)37(33,34)32-21-17-30(18-22-32)36-29-15-11-27(12-16-29)26-9-13-28(14-10-26)35-23-25-5-3-2-4-6-25;1-22-7-9-24(10-8-22)31(32)25-11-15-28(16-12-25)34-30-18-14-26-19-29(17-13-27(26)20-30)33-21-23-5-3-2-4-6-23;1-22-13-17-25(18-14-22)35(31,32)26-19-15-24(16-20-26)34-30-12-6-9-27-28(30)10-5-11-29(27)33-21-23-7-3-2-4-8-23;1-22-11-15-25(16-12-22)35(31,32)26-17-13-24(14-18-26)34-30-20-19-29(27-9-5-6-10-28(27)30)33-21-23-7-3-2-4-8-23;1-22-7-15-29(16-8-22)35(31,32)30-17-13-26(14-18-30)34-28-12-10-24-19-27(11-9-25(24)20-28)33-21-23-5-3-2-4-6-23;1-22-7-15-29(16-8-22)35(31,32)30-17-13-26(14-18-30)34-28-12-10-24-9-11-27(19-25(24)20-28)33-21-23-5-3-2-4-6-23;8*1-2;8*1-5(2,3)4/h2-22H,23H2,1H3;4-24H,25H2,1-3H3;2-22H,23H2,1H3;2-20H,21H2,1H3;4*2-20H,21H2,1H3;8*1-2H3;8*1H3,(H,2,3,4).
What are the key properties of ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene?
ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene has a molecular weight of 5088.26 g/mol, XLogP of 67.40, 61 rotatable bonds, 8 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonyl-4-methylbenzene;methanesulfonic acid;1-methyl-4-[4-[4-(4-phenylmethoxyphenyl)phenoxy]phenyl]sulfonylbenzene;1-methyl-4-[4-[4-[2-(4-phenylmethoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylbenzene;(4-methylphenyl)-[4-(6-phenylmethoxynaphthalen-2-yl)oxyphenyl]methanone;1-[4-(4-methylphenyl)sulfonylphenoxy]-4-phenylmethoxynaphthalene;1-[4-(4-methylphenyl)sulfonylphenoxy]-5-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-6-phenylmethoxynaphthalene;2-[4-(4-methylphenyl)sulfonylphenoxy]-7-phenylmethoxynaphthalene is sourced from PubChem (CID 157177279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).