N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine

C28H28N2S2 — CID 15533676

IUPACN,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine
SMILESCSc1ccc(NC(c2ccccc2)C(Nc2ccc(SC)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2S2/c1-31-25-17-13-23(14-18-25)29-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)30-24-15-19-26(32-2)20-16-24/h3-20,27-30H,1-2H3
InChIKeyYOCVQBPGUWBSEE-UHFFFAOYSA-N
MW456.68 g/mol
LogP8.14
Rot. Bonds9

About N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine

N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine (PubChem CID 15533676) has the molecular formula C28H28N2S2 and a molecular weight of 456.68 g/mol. Its IUPAC name is N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine
PubChem CID15533676
Molecular FormulaC28H28N2S2
Molecular Weight456.68 g/mol
Exact Mass456.17
IUPAC NameN,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine
SMILESCSc1ccc(NC(c2ccccc2)C(Nc2ccc(SC)cc2)c2ccccc2)cc1
InChIInChI=1S/C28H28N2S2/c1-31-25-17-13-23(14-18-25)29-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)30-24-15-19-26(32-2)20-16-24/h3-20,27-30H,1-2H3
InChIKeyYOCVQBPGUWBSEE-UHFFFAOYSA-N
XLogP8.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.68
LogP ≤ 58.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylsulfanylanilino)-3-phenylpropanenitrile
CID 55117719
4-methylsulfanyl-N-(1-phenylbutan-2-yl)aniline
CID 79007433
1,2-bis(4-fluorophenyl)-N,N'-diphenylethane-1,2-diamine
CID 11327045
4-methylsulfanyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43103988
3-[1-(4-methylsulfanylanilino)ethyl]phenol
CID 43192285
trimethyl-[(4-methylsulfanylphenyl)-phenylmethyl]silane
CID 168720141
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
N-(4-methyl-4-phenylpentan-2-yl)-4-methylsulfanylaniline
CID 43759154
methane;methylsulfanylbenzene;[methylsulfanyl(phenyl)methyl]benzene
CID 159307359
N-[1-(4-methylphenyl)ethyl]-4-methylsulfanylaniline
CID 43192256
(1R,2R)-N,N'-bis[4-[3,5-bis(2,6-dimethylphenyl)phenyl]phenyl]-1,2-diphenylethane-1,2-diamine
CID 101435249
hydrogen peroxide;methylsulfanylbenzene
CID 87661079

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine?
The IUPAC name of N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine (CID 15533676) is N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine is CSc1ccc(NC(c2ccccc2)C(Nc2ccc(SC)cc2)c2ccccc2)cc1.
What is the InChIKey of N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine?
The InChIKey is YOCVQBPGUWBSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2S2/c1-31-25-17-13-23(14-18-25)29-27(21-9-5-3-6-10-21)28(22-11-7-4-8-12-22)30-24-15-19-26(32-2)20-16-24/h3-20,27-30H,1-2H3.
What are the key properties of N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine?
N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine has a molecular weight of 456.68 g/mol, XLogP of 8.14, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methylsulfanylphenyl)-1,2-diphenylethane-1,2-diamine is sourced from PubChem (CID 15533676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).