1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene

C32H34O3S — CID 129089574

IUPAC1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene
SMILESCC(C)(C)Oc1ccc(Oc2ccc(Oc3ccc(Sc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34O3S/c1-31(2,3)23-7-19-29(20-8-23)36-30-21-17-27(18-22-30)34-25-11-9-24(10-12-25)33-26-13-15-28(16-14-26)35-32(4,5)6/h7-22H,1-6H3
InChIKeyZXPCBOLEZLZTLW-UHFFFAOYSA-N
MW498.69 g/mol
LogP9.90
Rot. Bonds7

About 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene

1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene (PubChem CID 129089574) has the molecular formula C32H34O3S and a molecular weight of 498.69 g/mol. Its IUPAC name is 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene
PubChem CID129089574
Molecular FormulaC32H34O3S
Molecular Weight498.69 g/mol
Exact Mass498.22
IUPAC Name1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene
SMILESCC(C)(C)Oc1ccc(Oc2ccc(Oc3ccc(Sc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C32H34O3S/c1-31(2,3)23-7-19-29(20-8-23)36-30-21-17-27(18-22-30)34-25-11-9-24(10-12-25)33-26-13-15-28(16-14-26)35-32(4,5)6/h7-22H,1-6H3
InChIKeyZXPCBOLEZLZTLW-UHFFFAOYSA-N
XLogP9.90
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.69
LogP ≤ 59.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzene
CID 126746102
1-(4-tert-butylphenyl)sulfanyl-4-(4-propan-2-ylphenoxy)benzene
CID 167298783
1-[(2-methylpropan-2-yl)oxy]-4-[4-(4-methylsulfanylphenyl)sulfanylphenyl]sulfanylbenzene
CID 101200720
4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylbenzenethiol
CID 101200718
1-tert-butyl-4-(4-tert-butylsulfanylphenoxy)benzene
CID 129163721
[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)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)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-tert-butylphenyl)-[4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]phenoxy]benzoyl]phenyl]methanone
CID 162436505
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
1-tert-butyl-4-[1-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfonylphenoxy]phenyl]ethyl]benzene
CID 155477330
2-[[ethyl(methyl)amino]methyl]-4-[4-[4-[(2-methylpropan-2-yl)oxy]phenyl]sulfanylphenoxy]phenol
CID 129274757

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene?
The IUPAC name of 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene (CID 129089574) is 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene.
What is the SMILES notation for 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene?
The canonical SMILES for 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene is CC(C)(C)Oc1ccc(Oc2ccc(Oc3ccc(Sc4ccc(C(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene?
The InChIKey is ZXPCBOLEZLZTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34O3S/c1-31(2,3)23-7-19-29(20-8-23)36-30-21-17-27(18-22-30)34-25-11-9-24(10-12-25)33-26-13-15-28(16-14-26)35-32(4,5)6/h7-22H,1-6H3.
What are the key properties of 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene?
1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene has a molecular weight of 498.69 g/mol, XLogP of 9.90, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[4-[4-[4-[(2-methylpropan-2-yl)oxy]phenoxy]phenoxy]phenyl]sulfanylbenzene is sourced from PubChem (CID 129089574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).