[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

C133H121O5S5+5 — CID 161018367

IUPAC[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
SMILESCC(C)(C)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(Oc2ccc([S+](c3ccccc3)c3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C29H29OS.C28H27OS.C26H23OS.2C25H21OS/c1-22-10-18-27(19-11-22)31(26-8-6-5-7-9-26)28-20-16-25(17-21-28)30-24-14-12-23(13-15-24)29(2,3)4;1-28(2,3)22-14-16-23(17-15-22)29-24-18-20-27(21-19-24)30(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-20-8-12-22(13-9-20)27-23-14-18-26(19-15-23)28(24-6-4-3-5-7-24)25-16-10-21(2)11-17-25;1-20-12-16-24(17-13-20)27(23-10-6-3-7-11-23)25-18-14-22(15-19-25)26-21-8-4-2-5-9-21;1-20-12-14-21(15-13-20)26-22-16-18-25(19-17-22)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h5-21H,1-4H3;4-21H,1-3H3;3-19H,1-2H3;2*2-19H,1H3/q5*+1
InChIKeyTYAJRKSQAGTKOV-UHFFFAOYSA-N
MW1959.76 g/mol
LogP37.01
Rot. Bonds25

About [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

[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 (PubChem CID 161018367) has the molecular formula C133H121O5S5+5 and a molecular weight of 1959.76 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID161018367
Molecular FormulaC133H121O5S5+5
Molecular Weight1959.76 g/mol
Exact Mass1957.78
IUPAC Name[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
SMILESCC(C)(C)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(Oc2ccc([S+](c3ccccc3)c3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C29H29OS.C28H27OS.C26H23OS.2C25H21OS/c1-22-10-18-27(19-11-22)31(26-8-6-5-7-9-26)28-20-16-25(17-21-28)30-24-14-12-23(13-15-24)29(2,3)4;1-28(2,3)22-14-16-23(17-15-22)29-24-18-20-27(21-19-24)30(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-20-8-12-22(13-9-20)27-23-14-18-26(19-15-23)28(24-6-4-3-5-7-24)25-16-10-21(2)11-17-25;1-20-12-16-24(17-13-20)27(23-10-6-3-7-11-23)25-18-14-22(15-19-25)26-21-8-4-2-5-9-21;1-20-12-14-21(15-13-20)26-22-16-18-25(19-17-22)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h5-21H,1-4H3;4-21H,1-3H3;3-19H,1-2H3;2*2-19H,1H3/q5*+1
InChIKeyTYAJRKSQAGTKOV-UHFFFAOYSA-N
XLogP37.01
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001959.76
LogP ≤ 537.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [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 with MolForge

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Related Compounds

bis(4-tert-butylphenyl)-(4-phenoxyphenyl)sulfanium;[4-(4-tert-butylphenoxy)phenyl]-bis(4-tert-butylphenyl)sulfanium
CID 161258227
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
[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-methylphenoxy)phenyl]-(4-methylphenyl)-phenylsulfanium
CID 23393598
(4-benzoylphenyl)-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 171830981
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
bis[4-(4-hydroxyphenoxy)phenyl]-(4-methylphenyl)sulfanium
CID 162474039
[4-(4-methylphenyl)phenyl]-diphenylsulfanium
CID 172737703
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-(2-ethoxy-2-oxoacetyl)phenoxy]phenyl]-(4-methylphenyl)-(4-phenoxyphenyl)sulfanium
CID 162483924

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(C)(C)c1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc(Oc2ccc([S+](c3ccccc3)c3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of [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?
The InChIKey is TYAJRKSQAGTKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29OS.C28H27OS.C26H23OS.2C25H21OS/c1-22-10-18-27(19-11-22)31(26-8-6-5-7-9-26)28-20-16-25(17-21-28)30-24-14-12-23(13-15-24)29(2,3)4;1-28(2,3)22-14-16-23(17-15-22)29-24-18-20-27(21-19-24)30(25-10-6-4-7-11-25)26-12-8-5-9-13-26;1-20-8-12-22(13-9-20)27-23-14-18-26(19-15-23)28(24-6-4-3-5-7-24)25-16-10-21(2)11-17-25;1-20-12-16-24(17-13-20)27(23-10-6-3-7-11-23)25-18-14-22(15-19-25)26-21-8-4-2-5-9-21;1-20-12-14-21(15-13-20)26-22-16-18-25(19-17-22)27(23-8-4-2-5-9-23)24-10-6-3-7-11-24/h5-21H,1-4H3;4-21H,1-3H3;3-19H,1-2H3;2*2-19H,1H3/q5*+1.
What are the key properties of [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?
[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 has a molecular weight of 1959.76 g/mol, XLogP of 37.01, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 161018367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).