N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine

C22H20N2S2 — CID 27160257

IUPACN,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine
SMILESc1ccc(N(CCN(c2ccccc2)c2cccs2)c2cccs2)cc1
InChIInChI=1S/C22H20N2S2/c1-3-9-19(10-4-1)23(21-13-7-17-25-21)15-16-24(22-14-8-18-26-22)20-11-5-2-6-12-20/h1-14,17-18H,15-16H2
InChIKeyAQVQLONPQNFTRU-UHFFFAOYSA-N
MW376.55 g/mol
LogP6.79
Rot. Bonds7

About N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine

N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine (PubChem CID 27160257) has the molecular formula C22H20N2S2 and a molecular weight of 376.55 g/mol. Its IUPAC name is N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine
PubChem CID27160257
Molecular FormulaC22H20N2S2
Molecular Weight376.55 g/mol
Exact Mass376.11
IUPAC NameN,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine
SMILESc1ccc(N(CCN(c2ccccc2)c2cccs2)c2cccs2)cc1
InChIInChI=1S/C22H20N2S2/c1-3-9-19(10-4-1)23(21-13-7-17-25-21)15-16-24(22-14-8-18-26-22)20-11-5-2-6-12-20/h1-14,17-18H,15-16H2
InChIKeyAQVQLONPQNFTRU-UHFFFAOYSA-N
XLogP6.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.55
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine?
The IUPAC name of N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine (CID 27160257) is N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine is c1ccc(N(CCN(c2ccccc2)c2cccs2)c2cccs2)cc1.
What is the InChIKey of N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine?
The InChIKey is AQVQLONPQNFTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2S2/c1-3-9-19(10-4-1)23(21-13-7-17-25-21)15-16-24(22-14-8-18-26-22)20-11-5-2-6-12-20/h1-14,17-18H,15-16H2.
What are the key properties of N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine?
N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine has a molecular weight of 376.55 g/mol, XLogP of 6.79, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diphenyl-N,N'-dithiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 27160257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).