2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine

C28H22N2S2 — CID 140654331

IUPAC2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine
SMILESc1ccc(-c2ccccc2/N=C2\SCCS\C2=N\c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2S2/c1-3-11-21(12-4-1)23-15-7-9-17-25(23)29-27-28(32-20-19-31-27)30-26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-18H,19-20H2/b29-27-,30-28+
InChIKeyYHDNIUVCZJSXPA-JOKXDOCYSA-N
MW450.63 g/mol
LogP8.26
Rot. Bonds4

About 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine

2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine (PubChem CID 140654331) has the molecular formula C28H22N2S2 and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine
PubChem CID140654331
Molecular FormulaC28H22N2S2
Molecular Weight450.63 g/mol
Exact Mass450.12
IUPAC Name2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine
SMILESc1ccc(-c2ccccc2/N=C2\SCCS\C2=N\c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C28H22N2S2/c1-3-11-21(12-4-1)23-15-7-9-17-25(23)29-27-28(32-20-19-31-27)30-26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-18H,19-20H2/b29-27-,30-28+
InChIKeyYHDNIUVCZJSXPA-JOKXDOCYSA-N
XLogP8.26
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-N-(2-phenylphenyl)imidazolidin-2-imine
CID 54173339
3,3,6,6-tetramethyl-1-N,2-N-bis(2-phenylphenyl)cyclohexane-1,2-diimine
CID 140654314
2-N,3-N-bis(2,6-diphenylphenyl)-1,4-dithiane-2,3-diimine;4-hydroxypent-3-en-2-one;methane;nickel
CID 158167020
imino-(2-phenylphenyl)iminoazanium
CID 6334229
1-isoselenocyanato-2-phenylbenzene
CID 155664094
1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
CID 20701787
N-(2-phenylphenyl)propan-1-imine
CID 70437330
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
N-[2-(4-methylphenyl)phenyl]methanimine
CID 54308926
2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel
CID 140654018
CID 69011285
CID 69011285
2,4,11,13-tetraphenyl-1,5,10,14-tetrathiacyclooctadeca-2,3,11,12-tetraene
CID 10793941

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine (CID 140654331) is 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine is c1ccc(-c2ccccc2/N=C2\SCCS\C2=N\c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine?
The InChIKey is YHDNIUVCZJSXPA-JOKXDOCYSA-N. The full InChI is InChI=1S/C28H22N2S2/c1-3-11-21(12-4-1)23-15-7-9-17-25(23)29-27-28(32-20-19-31-27)30-26-18-10-8-16-24(26)22-13-5-2-6-14-22/h1-18H,19-20H2/b29-27-,30-28+.
What are the key properties of 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine?
2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine has a molecular weight of 450.63 g/mol, XLogP of 8.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2-phenylphenyl)-1,4-dithiane-2,3-diimine is sourced from PubChem (CID 140654331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).