bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium

C144H142O2S8+6 — CID 157116832

IUPACbis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
SMILESCC(C)(C)c1ccc(Oc2ccc([S+](c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(Oc3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(Sc3ccc([S+](c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C40H36S3.C36H43OS.C36H28S3.C32H35OS/c1-29-5-17-35(18-6-29)42(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)41-34-15-27-40(28-16-34)43(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38;1-34(2,3)26-10-16-29(17-11-26)37-30-18-24-33(25-19-30)38(31-20-12-27(13-21-31)35(4,5)6)32-22-14-28(15-23-32)36(7,8)9;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;1-31(2,3)24-12-18-28(19-13-24)34(29-20-14-25(15-21-29)32(4,5)6)30-22-16-27(17-23-30)33-26-10-8-7-9-11-26/h5-28H,1-4H3;10-25H,1-9H3;1-28H;7-23H,1-6H3/q+2;+1;+2;+1
InChIKeyAHMTYDLLQRRSKH-UHFFFAOYSA-N
MW2161.25 g/mol
LogP40.93
Rot. Bonds26

About bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium

bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium (PubChem CID 157116832) has the molecular formula C144H142O2S8+6 and a molecular weight of 2161.25 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium.

Molecular Properties

Compound Namebis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
PubChem CID157116832
Molecular FormulaC144H142O2S8+6
Molecular Weight2161.25 g/mol
Exact Mass2158.87
IUPAC Namebis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium
SMILESCC(C)(C)c1ccc(Oc2ccc([S+](c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(Oc3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(Sc3ccc([S+](c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C40H36S3.C36H43OS.C36H28S3.C32H35OS/c1-29-5-17-35(18-6-29)42(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)41-34-15-27-40(28-16-34)43(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38;1-34(2,3)26-10-16-29(17-11-26)37-30-18-24-33(25-19-30)38(31-20-12-27(13-21-31)35(4,5)6)32-22-14-28(15-23-32)36(7,8)9;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;1-31(2,3)24-12-18-28(19-13-24)34(29-20-14-25(15-21-29)32(4,5)6)30-22-16-27(17-23-30)33-26-10-8-7-9-11-26/h5-28H,1-4H3;10-25H,1-9H3;1-28H;7-23H,1-6H3/q+2;+1;+2;+1
InChIKeyAHMTYDLLQRRSKH-UHFFFAOYSA-N
XLogP40.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms154
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002161.25
LogP ≤ 540.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium with MolForge

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Related Compounds

[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium
CID 160516311
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenoxy]phenyl]-bis(4-methylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenoxy)phenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenoxy]phenyl]-phenylsulfanium
CID 157231516
[4-[4-bis(4-tert-butylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-tert-butylphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;(4-tert-butylphenyl)-[4-[4-[(4-tert-butylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;(4-methylphenyl)-[4-[4-[(4-methylphenyl)-phenylsulfonio]phenyl]sulfanylphenyl]-phenylsulfanium
CID 160603208
[4-(4-tert-butylphenoxy)phenyl]-diphenylsulfanium;[4-(4-tert-butylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;[4-(4-methylphenoxy)phenyl]-diphenylsulfanium;[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium;(4-methylphenyl)-(4-phenoxyphenyl)-phenylsulfanium
CID 161018367
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
diphenyl-(4-phenylsulfanylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium;tris(4-tert-butylphenyl)sulfanium;tris(4-chlorophenyl)sulfanium;tris(4-methylphenyl)sulfanium
CID 159514018
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
bis(4-methoxyphenyl)-[4-[4-[(4-methoxyphenyl)-(4-methylphenyl)sulfonio]phenyl]sulfanylphenyl]sulfanium
CID 159907768
methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
bis[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-phenylsulfanium
CID 101131128
1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene
CID 129089574
[4-(4-ethylphenyl)sulfanylphenyl]-[4-(4-methylphenyl)sulfanylphenyl]-phenylsulfanium
CID 143787310

Frequently Asked Questions

What is the IUPAC name of bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium?
The IUPAC name of bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium (CID 157116832) is bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium.
What is the SMILES notation for bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium?
The canonical SMILES for bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium is CC(C)(C)c1ccc(Oc2ccc([S+](c3ccc(C(C)(C)C)cc3)c3ccc(C(C)(C)C)cc3)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(Oc3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(Sc3ccc([S+](c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(Sc3ccc([S+](c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium?
The InChIKey is AHMTYDLLQRRSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36S3.C36H43OS.C36H28S3.C32H35OS/c1-29-5-17-35(18-6-29)42(36-19-7-30(2)8-20-36)39-25-13-33(14-26-39)41-34-15-27-40(28-16-34)43(37-21-9-31(3)10-22-37)38-23-11-32(4)12-24-38;1-34(2,3)26-10-16-29(17-11-26)37-30-18-24-33(25-19-30)38(31-20-12-27(13-21-31)35(4,5)6)32-22-14-28(15-23-32)36(7,8)9;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;1-31(2,3)24-12-18-28(19-13-24)34(29-20-14-25(15-21-29)32(4,5)6)30-22-16-27(17-23-30)33-26-10-8-7-9-11-26/h5-28H,1-4H3;10-25H,1-9H3;1-28H;7-23H,1-6H3/q+2;+1;+2;+1.
What are the key properties of bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium?
bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium has a molecular weight of 2161.25 g/mol, XLogP of 40.93, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-[4-bis(4-methylphenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-methylphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium;[4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium is sourced from PubChem (CID 157116832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).