4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline

C51H32N4OS — CID 171597205

IUPAC4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5c34)n2)cc1
InChIInChI=1S/C51H32N4OS/c1-4-13-34(14-5-1)49-52-50(36-26-30-47-43(31-36)40-19-10-11-22-46(40)57-47)54-51(53-49)42-20-12-21-44-48(42)41-29-25-35(32-45(41)56-44)33-23-27-39(28-24-33)55(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H
InChIKeyMDRHKCVUVNBBCC-UHFFFAOYSA-N
MW748.91 g/mol
LogP14.28
Rot. Bonds7

About 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline

4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline (PubChem CID 171597205) has the molecular formula C51H32N4OS and a molecular weight of 748.91 g/mol. Its IUPAC name is 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline.

Molecular Properties

Compound Name4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
PubChem CID171597205
Molecular FormulaC51H32N4OS
Molecular Weight748.91 g/mol
Exact Mass748.23
IUPAC Name4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
SMILESc1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5c34)n2)cc1
InChIInChI=1S/C51H32N4OS/c1-4-13-34(14-5-1)49-52-50(36-26-30-47-43(31-36)40-19-10-11-22-46(40)57-47)54-51(53-49)42-20-12-21-44-48(42)41-29-25-35(32-45(41)56-44)33-23-27-39(28-24-33)55(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H
InChIKeyMDRHKCVUVNBBCC-UHFFFAOYSA-N
XLogP14.28
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.91
LogP ≤ 514.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline with MolForge

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Related Compounds

N-[4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenyldibenzothiophen-2-amine
CID 170383559
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
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155328643
N,N-diphenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]aniline
CID 171757052
2-dibenzothiophen-3-yl-4-[4-(7-dibenzothiophen-2-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 166742671
N-dibenzothiophen-2-yl-7-(4,6-diphenyl-1,3,5-triazin-2-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 170383494
3-[9-(4-dibenzothiophen-1-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline
CID 171597111
N,4-diphenyl-N-[4-[9-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]aniline
CID 171757172
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 159820333

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline?
The IUPAC name of 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline (CID 171597205) is 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline.
What is the SMILES notation for 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline?
The canonical SMILES for 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline is c1ccc(-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4oc5cc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)ccc5c34)n2)cc1.
What is the InChIKey of 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline?
The InChIKey is MDRHKCVUVNBBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4OS/c1-4-13-34(14-5-1)49-52-50(36-26-30-47-43(31-36)40-19-10-11-22-46(40)57-47)54-51(53-49)42-20-12-21-44-48(42)41-29-25-35(32-45(41)56-44)33-23-27-39(28-24-33)55(37-15-6-2-7-16-37)38-17-8-3-9-18-38/h1-32H.
What are the key properties of 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline?
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline has a molecular weight of 748.91 g/mol, XLogP of 14.28, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-N,N-diphenylaniline is sourced from PubChem (CID 171597205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).