N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine

C51H30N4OS2 — CID 176854061

IUPACN-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS2/c1-3-15-31(16-4-1)49-52-50(37-22-13-27-44-47(37)35-20-8-11-25-42(35)57-44)54-51(53-49)38-29-33(30-41-46(38)34-19-7-10-24-40(34)56-41)55(32-17-5-2-6-18-32)39-23-14-28-45-48(39)36-21-9-12-26-43(36)58-45/h1-30H
InChIKeyYPAPUTQTBGJFTN-UHFFFAOYSA-N
MW778.96 g/mol
LogP14.98
Rot. Bonds6

About N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine

N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine (PubChem CID 176854061) has the molecular formula C51H30N4OS2 and a molecular weight of 778.96 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
PubChem CID176854061
Molecular FormulaC51H30N4OS2
Molecular Weight778.96 g/mol
Exact Mass778.19
IUPAC NameN-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
SMILESc1ccc(-c2nc(-c3cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C51H30N4OS2/c1-3-15-31(16-4-1)49-52-50(37-22-13-27-44-47(37)35-20-8-11-25-42(35)57-44)54-51(53-49)38-29-33(30-41-46(38)34-19-7-10-24-40(34)56-41)55(32-17-5-2-6-18-32)39-23-14-28-45-48(39)36-21-9-12-26-43(36)58-45/h1-30H
InChIKeyYPAPUTQTBGJFTN-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-dibenzothiophen-2-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853433
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,N-di(dibenzothiophen-1-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-amine
CID 171597017
1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 176854014
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-dibenzofuran-4-yl-1-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine
CID 176853583
1-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-3-amine
CID 176853518
1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 166975476
N-dibenzofuran-4-yl-1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 162775368
2-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
1-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 176853817
2-dibenzothiophen-1-yl-4-(3-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166741653

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine (CID 176854061) is N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine is c1ccc(-c2nc(-c3cc(N(c4ccccc4)c4cccc5sc6ccccc6c45)cc4oc5ccccc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
The InChIKey is YPAPUTQTBGJFTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4OS2/c1-3-15-31(16-4-1)49-52-50(37-22-13-27-44-47(37)35-20-8-11-25-42(35)57-44)54-51(53-49)38-29-33(30-41-46(38)34-19-7-10-24-40(34)56-41)55(32-17-5-2-6-18-32)39-23-14-28-45-48(39)36-21-9-12-26-43(36)58-45/h1-30H.
What are the key properties of N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine?
N-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-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-dibenzothiophen-1-yl-1-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-N-phenyldibenzofuran-3-amine is sourced from PubChem (CID 176854061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).