tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane

C28H32OS — CID 156649368

IUPACtert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane
SMILESCC(C)(C)S(OC1CC=C(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32OS/c1-28(2,3)30(26-15-9-5-10-16-26,27-17-11-6-12-18-27)29-25-21-19-24(20-22-25)23-13-7-4-8-14-23/h4-19,25H,20-22H2,1-3H3
InChIKeyYYZLBXNYOYWYQH-UHFFFAOYSA-N
MW416.63 g/mol
LogP8.28
Rot. Bonds5

About tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane

tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane (PubChem CID 156649368) has the molecular formula C28H32OS and a molecular weight of 416.63 g/mol. Its IUPAC name is tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane.

Molecular Properties

Compound Nametert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane
PubChem CID156649368
Molecular FormulaC28H32OS
Molecular Weight416.63 g/mol
Exact Mass416.22
IUPAC Nametert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane
SMILESCC(C)(C)S(OC1CC=C(c2ccccc2)CC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H32OS/c1-28(2,3)30(26-15-9-5-10-16-26,27-17-11-6-12-18-27)29-25-21-19-24(20-22-25)23-13-7-4-8-14-23/h4-19,25H,20-22H2,1-3H3
InChIKeyYYZLBXNYOYWYQH-UHFFFAOYSA-N
XLogP8.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.63
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
4-[Bis(phenylsulfanyl)methoxy]butylbenzene
CID 11245986
1-Phenyl-1,1-bis(phenylsulfanyl)nonan-2-ol
CID 15270964
(2-Benzyl-4-methoxy-1-phenylsulfanylbutyl)sulfanylbenzene
CID 86034056
[(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene
CID 101457722
[4-(Benzenesulfinyl)-1,6-diphenylhexan-3-yl] methanesulfonate
CID 102600722
[(3R,4R)-4-(benzenesulfinyl)-1,6-diphenylhexan-3-yl] methanesulfonate
CID 134886653
[(3S,4R)-4-(benzenesulfinyl)-1,6-diphenylhexan-3-yl] methanesulfonate
CID 134886828
[5-[Bis(phenylsulfanyl)methoxy]-3-methylidenepentyl]benzene
CID 135005834
(3S,4S)-1-phenyl-3-phenylsulfanyloctan-4-ol
CID 138965292
Bis(4-ethylphenyl)-fluoro-[4-(2-methoxyethyl)phenyl]-lambda4-sulfane
CID 139924202
Fluoro-[4-(2-methoxyethyl)phenyl]-bis(4-methylphenyl)-lambda4-sulfane
CID 139924221

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane?
The IUPAC name of tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane (CID 156649368) is tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane.
What is the SMILES notation for tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane?
The canonical SMILES for tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane is CC(C)(C)S(OC1CC=C(c2ccccc2)CC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane?
The InChIKey is YYZLBXNYOYWYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32OS/c1-28(2,3)30(26-15-9-5-10-16-26,27-17-11-6-12-18-27)29-25-21-19-24(20-22-25)23-13-7-4-8-14-23/h4-19,25H,20-22H2,1-3H3.
What are the key properties of tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane?
tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane has a molecular weight of 416.63 g/mol, XLogP of 8.28, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-(4-phenylcyclohex-3-en-1-yl)oxy-λ4-sulfane is sourced from PubChem (CID 156649368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).