2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine

C33H21N3S — CID 154624619

IUPAC2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)cc1
InChIInChI=1S/C33H21N3S/c1-4-10-22(11-5-1)25-16-18-27-28-19-17-26(21-30(28)37-29(27)20-25)33-35-31(23-12-6-2-7-13-23)34-32(36-33)24-14-8-3-9-15-24/h1-21H
InChIKeyVIXFWTRVMBOFQK-UHFFFAOYSA-N
MW491.62 g/mol
LogP8.91
Rot. Bonds4

About 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine

2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine (PubChem CID 154624619) has the molecular formula C33H21N3S and a molecular weight of 491.62 g/mol. Its IUPAC name is 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
PubChem CID154624619
Molecular FormulaC33H21N3S
Molecular Weight491.62 g/mol
Exact Mass491.15
IUPAC Name2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc3c(c2)sc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)cc1
InChIInChI=1S/C33H21N3S/c1-4-10-22(11-5-1)25-16-18-27-28-19-17-26(21-30(28)37-29(27)20-25)33-35-31(23-12-6-2-7-13-23)34-32(36-33)24-14-8-3-9-15-24/h1-21H
InChIKeyVIXFWTRVMBOFQK-UHFFFAOYSA-N
XLogP8.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.62
LogP ≤ 58.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 169059274
2,4-diphenyl-6-[7-[3-(3-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 154624639
2-[7-(3,5-diphenylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 166952939
2,4-diphenyl-6-[8-[4-(4-phenylphenyl)phenyl]dibenzothiophen-3-yl]-1,3,5-triazine
CID 166952615
2-(4-dibenzothiophen-3-ylphenyl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850210
2-dibenzothiophen-2-yl-4-phenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine
CID 171597129
2,4-diphenyl-6-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-1,3,5-triazine
CID 155049982
2-(7-dibenzothiophen-2-yldibenzothiophen-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 155377206
2-dibenzothiophen-3-yl-4-phenyl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 156673310
2-dibenzothiophen-3-yl-4-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 138654698
2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 138613779
2-[7-(4-naphthalen-2-ylphenyl)dibenzothiophen-3-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 171597144

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine (CID 154624619) is 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine is c1ccc(-c2ccc3c(c2)sc2cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc23)cc1.
What is the InChIKey of 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
The InChIKey is VIXFWTRVMBOFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3S/c1-4-10-22(11-5-1)25-16-18-27-28-19-17-26(21-30(28)37-29(27)20-25)33-35-31(23-12-6-2-7-13-23)34-32(36-33)24-14-8-3-9-15-24/h1-21H.
What are the key properties of 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine?
2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine has a molecular weight of 491.62 g/mol, XLogP of 8.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-(7-phenyldibenzothiophen-3-yl)-1,3,5-triazine is sourced from PubChem (CID 154624619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).