4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline

C24H19NS2 — CID 3723956

IUPAC4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline
SMILESc1ccc(Sc2ccc(Nc3ccc(Sc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H19NS2/c1-3-7-21(8-4-1)26-23-15-11-19(12-16-23)25-20-13-17-24(18-14-20)27-22-9-5-2-6-10-22/h1-18,25H
InChIKeyXCGDDUBWODDTHK-UHFFFAOYSA-N
MW385.56 g/mol
LogP7.73
Rot. Bonds6

About 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline

4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline (PubChem CID 3723956) has the molecular formula C24H19NS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline.

Molecular Properties

Compound Name4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline
PubChem CID3723956
Molecular FormulaC24H19NS2
Molecular Weight385.56 g/mol
Exact Mass385.10
IUPAC Name4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline
SMILESc1ccc(Sc2ccc(Nc3ccc(Sc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C24H19NS2/c1-3-7-21(8-4-1)26-23-15-11-19(12-16-23)25-20-13-17-24(18-14-20)27-22-9-5-2-6-10-22/h1-18,25H
InChIKeyXCGDDUBWODDTHK-UHFFFAOYSA-N
XLogP7.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline?
The IUPAC name of 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline (CID 3723956) is 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline.
What is the SMILES notation for 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline?
The canonical SMILES for 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline is c1ccc(Sc2ccc(Nc3ccc(Sc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline?
The InChIKey is XCGDDUBWODDTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NS2/c1-3-7-21(8-4-1)26-23-15-11-19(12-16-23)25-20-13-17-24(18-14-20)27-22-9-5-2-6-10-22/h1-18,25H.
What are the key properties of 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline?
4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline has a molecular weight of 385.56 g/mol, XLogP of 7.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-N-(4-phenylsulfanylphenyl)aniline is sourced from PubChem (CID 3723956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).