N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine

C51H30N4OS2 — CID 171597017

IUPACN,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6cccc7sc8ccccc8c67)c6cccc7sc8ccccc8c67)ccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)37-20-11-23-40-46(37)34-29-28-33(30-41(34)56-40)55(38-21-12-26-44-47(38)35-18-7-9-24-42(35)57-44)39-22-13-27-45-48(39)36-19-8-10-25-43(36)58-45/h1-30H
InChIKeyUJRDVJKIBYJNAN-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.98
Rot. Bonds6

About N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine

N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine (PubChem CID 171597017) has the molecular formula C51H30N4OS2 and a molecular weight of 778.96 g/mol. Its IUPAC name is N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
PubChem CID171597017
Molecular FormulaC51H30N4OS2
Molecular Weight778.96 g/mol
Exact Mass778.19
IUPAC NameN,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6cccc7sc8ccccc8c67)c6cccc7sc8ccccc8c67)ccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)37-20-11-23-40-46(37)34-29-28-33(30-41(34)56-40)55(38-21-12-26-44-47(38)35-18-7-9-24-42(35)57-44)39-22-13-27-45-48(39)36-19-8-10-25-43(36)58-45/h1-30H
InChIKeyUJRDVJKIBYJNAN-UHFFFAOYSA-N
XLogP14.98
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.96
LogP ≤ 514.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-phenyl-N-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]dibenzothiophen-1-amine
CID 176818428
N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176854061
2-dibenzothiophen-1-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407677
N-dibenzothiophen-2-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853433
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111
1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176853769
N,N-bis(4-phenylphenyl)-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-amine
CID 176818480
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597205
2-dibenzofuran-1-yl-4-phenyl-6-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 155328942
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
N-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383494
2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-1-yldibenzofuran-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166743677

Frequently Asked Questions

What is the IUPAC name of N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
The IUPAC name of N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine (CID 171597017) is N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine.
What is the SMILES notation for N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
The canonical SMILES for N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4oc5cc(N(c6cccc7sc8ccccc8c67)c6cccc7sc8ccccc8c67)ccc5c34)n2)cc1.
What is the InChIKey of N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
The InChIKey is UJRDVJKIBYJNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS2/c1-3-14-31(15-4-1)49-52-50(32-16-5-2-6-17-32)54-51(53-49)37-20-11-23-40-46(37)34-29-28-33(30-41(34)56-40)55(38-21-12-26-44-47(38)35-18-7-9-24-42(35)57-44)39-22-13-27-45-48(39)36-19-8-10-25-43(36)58-45/h1-30H.
What are the key properties of N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine?
N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine has a molecular weight of 778.96 g/mol, XLogP of 14.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine is sourced from PubChem (CID 171597017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).