1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane

C20H20S — CID 174481520

IUPAC1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
SMILESCc1cc(C)cc(-c2cccc(-c3ccccc3)c2)c1.S
InChIInChI=1S/C20H18.H2S/c1-15-11-16(2)13-20(12-15)19-10-6-9-18(14-19)17-7-4-3-5-8-17;/h3-14H,1-2H3;1H2
InChIKeyGYGYAJHWGIXCHJ-UHFFFAOYSA-N
MW292.45 g/mol
LogP5.75
Rot. Bonds2

About 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane

1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane (PubChem CID 174481520) has the molecular formula C20H20S and a molecular weight of 292.45 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
PubChem CID174481520
Molecular FormulaC20H20S
Molecular Weight292.45 g/mol
Exact Mass292.13
IUPAC Name1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane
SMILESCc1cc(C)cc(-c2cccc(-c3ccccc3)c2)c1.S
InChIInChI=1S/C20H18.H2S/c1-15-11-16(2)13-20(12-15)19-10-6-9-18(14-19)17-7-4-3-5-8-17;/h3-14H,1-2H3;1H2
InChIKeyGYGYAJHWGIXCHJ-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.45
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,3-dimethyl-5-[3-[3-[3-(3-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylphenyl]benzene
CID 59552812
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1,3,5-tris[3-(3,5-dimethylphenyl)phenyl]benzene
CID 140841473
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
1,3-dimethyl-5-phenylbenzene;methane
CID 143325792
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
bis(1,3-dimethyl-5-phenylbenzene);tris(1,3,5-trimethylbenzene);1,3-xylene;bis(1,4-xylene)
CID 159852907
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane?
The IUPAC name of 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane (CID 174481520) is 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane.
What is the SMILES notation for 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane?
The canonical SMILES for 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane is Cc1cc(C)cc(-c2cccc(-c3ccccc3)c2)c1.S.
What is the InChIKey of 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane?
The InChIKey is GYGYAJHWGIXCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.H2S/c1-15-11-16(2)13-20(12-15)19-10-6-9-18(14-19)17-7-4-3-5-8-17;/h3-14H,1-2H3;1H2.
What are the key properties of 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane?
1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane has a molecular weight of 292.45 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-phenylphenyl)benzene;sulfane is sourced from PubChem (CID 174481520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).