3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene

C202H254N2O12S12 — CID 159991236

IUPAC3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene
SMILESCCCCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C52H54N2O2S2.C34H48O2S2.C32H44O2S2.C30H40O2S2.C28H36O2S2.C26H32O2S2/c1-2-3-4-5-6-7-8-9-10-23-40-58(55,56)51-41-50(42-32-36-48(37-33-42)53(44-24-15-11-16-25-44)45-26-17-12-18-27-45)57-52(51)43-34-38-49(39-35-43)54(46-28-19-13-20-29-46)47-30-21-14-22-31-47;1-6-7-8-9-10-11-12-13-14-15-24-38(35,36)33-25-32(30-20-16-28(17-21-30)26(2)3)37-34(33)31-22-18-29(19-23-31)27(4)5;1-6-7-8-9-10-11-12-13-22-36(33,34)31-23-30(28-18-14-26(15-19-28)24(2)3)35-32(31)29-20-16-27(17-21-29)25(4)5;1-6-7-8-9-10-11-20-34(31,32)29-21-28(26-16-12-24(13-17-26)22(2)3)33-30(29)27-18-14-25(15-19-27)23(4)5;1-6-7-8-9-18-32(29,30)27-19-26(24-14-10-22(11-15-24)20(2)3)31-28(27)25-16-12-23(13-17-25)21(4)5;1-6-7-16-30(27,28)25-17-24(22-12-8-20(9-13-22)18(2)3)29-26(25)23-14-10-21(11-15-23)19(4)5/h11-22,24-39,41H,2-10,23,40H2,1H3;16-23,25-27H,6-15,24H2,1-5H3;14-21,23-25H,6-13,22H2,1-5H3;12-19,21-23H,6-11,20H2,1-5H3;10-17,19-21H,6-9,18H2,1-5H3;8-15,17-19H,6-7,16H2,1-5H3
InChIKeyOGYXVYMQMBLXIV-UHFFFAOYSA-N
MW3287.06 g/mol
LogP63.03
Rot. Bonds80

About 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene

3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene (PubChem CID 159991236) has the molecular formula C202H254N2O12S12 and a molecular weight of 3287.06 g/mol. Its IUPAC name is 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene.

Molecular Properties

Compound Name3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene
PubChem CID159991236
Molecular FormulaC202H254N2O12S12
Molecular Weight3287.06 g/mol
Exact Mass3283.60
IUPAC Name3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene
SMILESCCCCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1
InChIInChI=1S/C52H54N2O2S2.C34H48O2S2.C32H44O2S2.C30H40O2S2.C28H36O2S2.C26H32O2S2/c1-2-3-4-5-6-7-8-9-10-23-40-58(55,56)51-41-50(42-32-36-48(37-33-42)53(44-24-15-11-16-25-44)45-26-17-12-18-27-45)57-52(51)43-34-38-49(39-35-43)54(46-28-19-13-20-29-46)47-30-21-14-22-31-47;1-6-7-8-9-10-11-12-13-14-15-24-38(35,36)33-25-32(30-20-16-28(17-21-30)26(2)3)37-34(33)31-22-18-29(19-23-31)27(4)5;1-6-7-8-9-10-11-12-13-22-36(33,34)31-23-30(28-18-14-26(15-19-28)24(2)3)35-32(31)29-20-16-27(17-21-29)25(4)5;1-6-7-8-9-10-11-20-34(31,32)29-21-28(26-16-12-24(13-17-26)22(2)3)33-30(29)27-18-14-25(15-19-27)23(4)5;1-6-7-8-9-18-32(29,30)27-19-26(24-14-10-22(11-15-24)20(2)3)31-28(27)25-16-12-23(13-17-25)21(4)5;1-6-7-16-30(27,28)25-17-24(22-12-8-20(9-13-22)18(2)3)29-26(25)23-14-10-21(11-15-23)19(4)5/h11-22,24-39,41H,2-10,23,40H2,1H3;16-23,25-27H,6-15,24H2,1-5H3;14-21,23-25H,6-13,22H2,1-5H3;12-19,21-23H,6-11,20H2,1-5H3;10-17,19-21H,6-9,18H2,1-5H3;8-15,17-19H,6-7,16H2,1-5H3
InChIKeyOGYXVYMQMBLXIV-UHFFFAOYSA-N
XLogP63.03
TPSA211.32 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds80
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003287.06
LogP ≤ 563.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene with MolForge

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Related Compounds

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4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
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5-[5-[7,7-dioctyl-10-[4-(N-phenylanilino)phenyl]-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]thiophen-2-yl]thiophene-2-carbaldehyde
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CID 58596504

Frequently Asked Questions

What is the IUPAC name of 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene?
The IUPAC name of 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene (CID 159991236) is 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene.
What is the SMILES notation for 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene?
The canonical SMILES for 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene is CCCCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)sc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1.CCCCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.CCCCS(=O)(=O)c1cc(-c2ccc(C(C)C)cc2)sc1-c1ccc(C(C)C)cc1.
What is the InChIKey of 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene?
The InChIKey is OGYXVYMQMBLXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H54N2O2S2.C34H48O2S2.C32H44O2S2.C30H40O2S2.C28H36O2S2.C26H32O2S2/c1-2-3-4-5-6-7-8-9-10-23-40-58(55,56)51-41-50(42-32-36-48(37-33-42)53(44-24-15-11-16-25-44)45-26-17-12-18-27-45)57-52(51)43-34-38-49(39-35-43)54(46-28-19-13-20-29-46)47-30-21-14-22-31-47;1-6-7-8-9-10-11-12-13-14-15-24-38(35,36)33-25-32(30-20-16-28(17-21-30)26(2)3)37-34(33)31-22-18-29(19-23-31)27(4)5;1-6-7-8-9-10-11-12-13-22-36(33,34)31-23-30(28-18-14-26(15-19-28)24(2)3)35-32(31)29-20-16-27(17-21-29)25(4)5;1-6-7-8-9-10-11-20-34(31,32)29-21-28(26-16-12-24(13-17-26)22(2)3)33-30(29)27-18-14-25(15-19-27)23(4)5;1-6-7-8-9-18-32(29,30)27-19-26(24-14-10-22(11-15-24)20(2)3)31-28(27)25-16-12-23(13-17-25)21(4)5;1-6-7-16-30(27,28)25-17-24(22-12-8-20(9-13-22)18(2)3)29-26(25)23-14-10-21(11-15-23)19(4)5/h11-22,24-39,41H,2-10,23,40H2,1H3;16-23,25-27H,6-15,24H2,1-5H3;14-21,23-25H,6-13,22H2,1-5H3;12-19,21-23H,6-11,20H2,1-5H3;10-17,19-21H,6-9,18H2,1-5H3;8-15,17-19H,6-7,16H2,1-5H3.
What are the key properties of 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene?
3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene has a molecular weight of 3287.06 g/mol, XLogP of 63.03, 80 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-decylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-dodecylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;4-[4-dodecylsulfonyl-5-[4-(N-phenylanilino)phenyl]thiophen-2-yl]-N,N-diphenylaniline;3-hexylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene;3-octylsulfonyl-2,5-bis(4-propan-2-ylphenyl)thiophene is sourced from PubChem (CID 159991236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).