tris(4-methylphenyl)-phenyl-λ4-sulfane

C27H26S — CID 70223944

IUPACtris(4-methylphenyl)-phenyl-λ4-sulfane
SMILESCc1ccc(S(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26S/c1-21-9-15-25(16-10-21)28(24-7-5-4-6-8-24,26-17-11-22(2)12-18-26)27-19-13-23(3)14-20-27/h4-20H,1-3H3
InChIKeyNHIKGFTUGHCHBJ-UHFFFAOYSA-N
MW382.57 g/mol
LogP7.95
Rot. Bonds4

About tris(4-methylphenyl)-phenyl-λ4-sulfane

tris(4-methylphenyl)-phenyl-λ4-sulfane (PubChem CID 70223944) has the molecular formula C27H26S and a molecular weight of 382.57 g/mol. Its IUPAC name is tris(4-methylphenyl)-phenyl-λ4-sulfane.

Molecular Properties

Compound Nametris(4-methylphenyl)-phenyl-λ4-sulfane
PubChem CID70223944
Molecular FormulaC27H26S
Molecular Weight382.57 g/mol
Exact Mass382.18
IUPAC Nametris(4-methylphenyl)-phenyl-λ4-sulfane
SMILESCc1ccc(S(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C27H26S/c1-21-9-15-25(16-10-21)28(24-7-5-4-6-8-24,26-17-11-22(2)12-18-26)27-19-13-23(3)14-20-27/h4-20H,1-3H3
InChIKeyNHIKGFTUGHCHBJ-UHFFFAOYSA-N
XLogP7.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[4-[3,5-bis[4-(triphenyl-λ4-sulfanyl)phenyl]phenyl]phenyl]-triphenyl-λ4-sulfane
CID 167154831
benzene;bis(1,4-xylene)
CID 159472747
bis(4-tert-butylphenyl)-diphenyl-λ4-sulfane
CID 130316907
1,3-bis(benzenesulfonyl)-5-(4-methylphenyl)sulfonylbenzene
CID 147906437
1-(benzenesulfonyl)-2-(4-methylphenyl)sulfonylbenzene
CID 176904491
1-[bis(benzenesulfonyl)methylsulfonyl]-4-methylbenzene
CID 153470186
CID 172832432
CID 172832432
tris(4-fluorophenyl)-phenyl-λ4-sulfane
CID 118643814
radon;toluene;1,4-xylene
CID 174747246
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820

Frequently Asked Questions

What is the IUPAC name of tris(4-methylphenyl)-phenyl-λ4-sulfane?
The IUPAC name of tris(4-methylphenyl)-phenyl-λ4-sulfane (CID 70223944) is tris(4-methylphenyl)-phenyl-λ4-sulfane.
What is the SMILES notation for tris(4-methylphenyl)-phenyl-λ4-sulfane?
The canonical SMILES for tris(4-methylphenyl)-phenyl-λ4-sulfane is Cc1ccc(S(c2ccccc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of tris(4-methylphenyl)-phenyl-λ4-sulfane?
The InChIKey is NHIKGFTUGHCHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26S/c1-21-9-15-25(16-10-21)28(24-7-5-4-6-8-24,26-17-11-22(2)12-18-26)27-19-13-23(3)14-20-27/h4-20H,1-3H3.
What are the key properties of tris(4-methylphenyl)-phenyl-λ4-sulfane?
tris(4-methylphenyl)-phenyl-λ4-sulfane has a molecular weight of 382.57 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-methylphenyl)-phenyl-λ4-sulfane is sourced from PubChem (CID 70223944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).