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

C39H24N4S2 — CID 171727136

IUPACN-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(N(c3ccccc3)c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C39H24N4S2/c1-3-13-25(14-4-1)37-40-38(30-20-11-19-28-27-17-7-9-22-32(27)45-36(28)30)42-39(41-37)43(26-15-5-2-6-16-26)31-21-12-24-34-35(31)29-18-8-10-23-33(29)44-34/h1-24H
InChIKeyIJTNRNYEHIYGLR-UHFFFAOYSA-N
MW612.78 g/mol
LogP11.41
Rot. Bonds5

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

N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine (PubChem CID 171727136) has the molecular formula C39H24N4S2 and a molecular weight of 612.78 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
PubChem CID171727136
Molecular FormulaC39H24N4S2
Molecular Weight612.78 g/mol
Exact Mass612.14
IUPAC NameN-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine
SMILESc1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(N(c3ccccc3)c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C39H24N4S2/c1-3-13-25(14-4-1)37-40-38(30-20-11-19-28-27-17-7-9-22-32(27)45-36(28)30)42-39(41-37)43(26-15-5-2-6-16-26)31-21-12-24-34-35(31)29-18-8-10-23-33(29)44-34/h1-24H
InChIKeyIJTNRNYEHIYGLR-UHFFFAOYSA-N
XLogP11.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.78
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-dibenzothiophen-3-yl-4-dibenzothiophen-4-yl-6-phenyl-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727080
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-phenyl-1,3,5-triazin-2-amine
CID 171726969
2-(9-dibenzothiophen-4-yldibenzothiophen-4-yl)-4,6-diphenyl-1,3,5-triazine
CID 166953027
N-dibenzothiophen-1-yl-4,6-di(dibenzothiophen-2-yl)-N-(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 171727071
2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-(3-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139305040
2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-1-ylphenyl)-6-(4-dibenzothiophen-1-ylphenyl)-1,3,5-triazine
CID 139304158
N-dibenzothiophen-2-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyldibenzothiophen-2-amine
CID 164829419
2-dibenzothiophen-4-yl-4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 168831660
N-dibenzothiophen-1-yl-N,4,6-tri(dibenzothiophen-2-yl)-1,3,5-triazin-2-amine
CID 171727030
N-dibenzothiophen-1-yl-N,3-diphenyldibenzothiophen-4-amine
CID 171435323
N-dibenzothiophen-4-yl-6-[4-(N-phenylanilino)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 153434003
N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176854061

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine?
The IUPAC name of N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine (CID 171727136) is N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine is c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(N(c3ccccc3)c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine?
The InChIKey is IJTNRNYEHIYGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24N4S2/c1-3-13-25(14-4-1)37-40-38(30-20-11-19-28-27-17-7-9-22-32(27)45-36(28)30)42-39(41-37)43(26-15-5-2-6-16-26)31-21-12-24-34-35(31)29-18-8-10-23-33(29)44-34/h1-24H.
What are the key properties of N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine?
N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine has a molecular weight of 612.78 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-N,6-diphenyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 171727136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).