N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine

C23H16N4S2 — CID 139202565

IUPACN,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C23H16N4S2/c1-3-9-17(10-4-1)27(18-11-5-2-6-12-18)23-25-21(19-13-7-15-28-19)24-22(26-23)20-14-8-16-29-20/h1-16H
InChIKeyJHLPTAQIGPUPEO-UHFFFAOYSA-N
MW412.54 g/mol
LogP6.80
Rot. Bonds5

About N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine

N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine (PubChem CID 139202565) has the molecular formula C23H16N4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
PubChem CID139202565
Molecular FormulaC23H16N4S2
Molecular Weight412.54 g/mol
Exact Mass412.08
IUPAC NameN,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine
SMILESc1ccc(N(c2ccccc2)c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1
InChIInChI=1S/C23H16N4S2/c1-3-9-17(10-4-1)27(18-11-5-2-6-12-18)23-25-21(19-13-7-15-28-19)24-22(26-23)20-14-8-16-29-20/h1-16H
InChIKeyJHLPTAQIGPUPEO-UHFFFAOYSA-N
XLogP6.80
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]-6-thiophen-2-yl-1,3,5-triazin-2-yl]aniline
CID 102341987
1-N,1-N,3-N,3-N-tetraphenyl-5-thiophen-2-ylbenzene-1,3-diamine
CID 23074711
phenyl-[4-(4-thiophen-2-yl-N-(4-thiophen-2-ylphenyl)anilino)phenyl]methanone
CID 102408721
4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
2-[methyl-(2-thiophen-2-ylquinazolin-4-yl)amino]acetic acid
CID 91964438
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
N,N-diphenyl-4-(4-thiophen-2-ylnaphthalen-1-yl)naphthalen-1-amine
CID 139256573
3-thiophen-2-yl-1,2,4-benzotriazine
CID 135025345
6-(ethylamino)-2-thiophen-2-ylpyrimidine-4-carboxylic acid
CID 82169824
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839
2-(4-propan-2-ylphenyl)-4,6-dithiophen-2-yl-1,3,5-triazine
CID 126550812
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
CID 63613318

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine (CID 139202565) is N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine is c1ccc(N(c2ccccc2)c2nc(-c3cccs3)nc(-c3cccs3)n2)cc1.
What is the InChIKey of N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine?
The InChIKey is JHLPTAQIGPUPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4S2/c1-3-9-17(10-4-1)27(18-11-5-2-6-12-18)23-25-21(19-13-7-15-28-19)24-22(26-23)20-14-8-16-29-20/h1-16H.
What are the key properties of N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine?
N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine has a molecular weight of 412.54 g/mol, XLogP of 6.80, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4,6-dithiophen-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 139202565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).