2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene

C38H30O2S — CID 139532514

IUPAC2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene
SMILESCc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1Sc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1C
InChIInChI=1S/C38H30O2S/c1-27-25-31(29-13-19-35(20-14-29)39-33-9-5-3-6-10-33)17-23-37(27)41-38-24-18-32(26-28(38)2)30-15-21-36(22-16-30)40-34-11-7-4-8-12-34/h3-26H,1-2H3
InChIKeyQPWYHOHOIXNCPJ-UHFFFAOYSA-N
MW550.72 g/mol
LogP11.37
Rot. Bonds8

About 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene

2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene (PubChem CID 139532514) has the molecular formula C38H30O2S and a molecular weight of 550.72 g/mol. Its IUPAC name is 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene.

Molecular Properties

Compound Name2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene
PubChem CID139532514
Molecular FormulaC38H30O2S
Molecular Weight550.72 g/mol
Exact Mass550.20
IUPAC Name2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene
SMILESCc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1Sc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1C
InChIInChI=1S/C38H30O2S/c1-27-25-31(29-13-19-35(20-14-29)39-33-9-5-3-6-10-33)17-23-37(27)41-38-24-18-32(26-28(38)2)30-15-21-36(22-16-30)40-34-11-7-4-8-12-34/h3-26H,1-2H3
InChIKeyQPWYHOHOIXNCPJ-UHFFFAOYSA-N
XLogP11.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.72
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-methyl-4-(4-methylphenyl)benzene;phenoxybenzene
CID 142829586
1-phenoxy-4-(3-phenylphenoxy)benzene
CID 14832823
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
lithium;hydride;1-phenyl-4-(4-phenylphenoxy)benzene
CID 175041898
9-[3-methyl-4-(4-phenylphenyl)sulfanylphenyl]-10-phenylanthracene
CID 142424791
N,N-dimethyl-3-(4-phenoxyphenyl)aniline
CID 57177626
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
1-fluoro-4-(4-phenoxyphenyl)benzene
CID 163618291
(4-phenoxyphenyl)-[4-(4-phenoxyphenyl)phenyl]methanone
CID 134445747
3,6-dimethyl-2-(4-phenoxyphenyl)aniline
CID 173271409
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
CID 70651586
4-(4-phenoxyphenyl)thiophen-2-amine
CID 82487351

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene?
The IUPAC name of 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene (CID 139532514) is 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene.
What is the SMILES notation for 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene?
The canonical SMILES for 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene is Cc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1Sc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1C.
What is the InChIKey of 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene?
The InChIKey is QPWYHOHOIXNCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30O2S/c1-27-25-31(29-13-19-35(20-14-29)39-33-9-5-3-6-10-33)17-23-37(27)41-38-24-18-32(26-28(38)2)30-15-21-36(22-16-30)40-34-11-7-4-8-12-34/h3-26H,1-2H3.
What are the key properties of 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene?
2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene has a molecular weight of 550.72 g/mol, XLogP of 11.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-methyl-4-(4-phenoxyphenyl)phenyl]sulfanyl-4-(4-phenoxyphenyl)benzene is sourced from PubChem (CID 139532514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).