2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine

C39H27N3S — CID 166961343

IUPAC2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4sc5c(-c6cccc(-c7ccccc7)c6)cccc5c4c3)N2)cc1
InChIInChI=1S/C39H27N3S/c1-4-12-26(13-5-1)29-18-10-19-30(24-29)32-20-11-21-33-34-25-31(22-23-35(34)43-36(32)33)39-41-37(27-14-6-2-7-15-27)40-38(42-39)28-16-8-3-9-17-28/h1-25,37H,(H,40,41,42)
InChIKeyZRSTZDSUUDPHMN-UHFFFAOYSA-N
MW569.73 g/mol
LogP9.88
Rot. Bonds5

About 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine

2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine (PubChem CID 166961343) has the molecular formula C39H27N3S and a molecular weight of 569.73 g/mol. Its IUPAC name is 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
PubChem CID166961343
Molecular FormulaC39H27N3S
Molecular Weight569.73 g/mol
Exact Mass569.19
IUPAC Name2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4sc5c(-c6cccc(-c7ccccc7)c6)cccc5c4c3)N2)cc1
InChIInChI=1S/C39H27N3S/c1-4-12-26(13-5-1)29-18-10-19-30(24-29)32-20-11-21-33-34-25-31(22-23-35(34)43-36(32)33)39-41-37(27-14-6-2-7-15-27)40-38(42-39)28-16-8-3-9-17-28/h1-25,37H,(H,40,41,42)
InChIKeyZRSTZDSUUDPHMN-UHFFFAOYSA-N
XLogP9.88
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.73
LogP ≤ 59.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[3-(4-phenylphenyl)phenyl]-2-triphenylen-2-yldibenzothiophene
CID 118349922
2,4,6-tris(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 118543950
(2R)-2,6-diphenyl-4-[3-[8-(8-phenyldibenzothiophen-4-yl)dibenzofuran-1-yl]phenyl]-1,2-dihydro-1,3,5-triazine
CID 166744213
6-[2-(2-dibenzothiophen-4-ylphenyl)phenyl]-2-[6-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophen-1-yl]dibenzothiophene
CID 153066120
4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]dibenzothiophene
CID 118439378
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618
4-[3-(6-dibenzothiophen-3-yl-2-phenylpyrimidin-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 138655148
2-dibenzothiophen-4-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-4-yl]phenyl]-1,3,5-triazine
CID 155329887
4-[4-[8-(3-dibenzothiophen-4-ylphenyl)dibenzothiophen-2-yl]phenyl]-N,N-diphenylaniline
CID 90076337
2-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]dibenzothiophene;4-[3-[3-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene;4-[3-[4-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]phenyl]phenyl]dibenzothiophene
CID 158944259
[3-[4-(3-carbazol-9-ylphenyl)-6-(2-dibenzothiophen-4-ylphenyl)-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]-triphenylsilane
CID 176722272
4-[3-[3-[3-[3-(3-triphenylen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]dibenzothiophene
CID 177115886

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine (CID 166961343) is 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)N=C(c3ccc4sc5c(-c6cccc(-c7ccccc7)c6)cccc5c4c3)N2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine?
The InChIKey is ZRSTZDSUUDPHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H27N3S/c1-4-12-26(13-5-1)29-18-10-19-30(24-29)32-20-11-21-33-34-25-31(22-23-35(34)43-36(32)33)39-41-37(27-14-6-2-7-15-27)40-38(42-39)28-16-8-3-9-17-28/h1-25,37H,(H,40,41,42).
What are the key properties of 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine?
2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine has a molecular weight of 569.73 g/mol, XLogP of 9.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[6-(3-phenylphenyl)dibenzothiophen-2-yl]-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 166961343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).