2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine

C45H27N3S2 — CID 171402475

IUPAC2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5sc6ccccc6c45)c3-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)36-21-11-19-33(34-20-12-24-39-42(34)35-18-8-10-23-38(35)49-39)41(36)30-25-26-32-31-17-7-9-22-37(31)50-40(32)27-30/h1-27H
InChIKeyYXHWYJIAHWSLSA-UHFFFAOYSA-N
MW673.87 g/mol
LogP12.94
Rot. Bonds5

About 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine

2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 171402475) has the molecular formula C45H27N3S2 and a molecular weight of 673.87 g/mol. Its IUPAC name is 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID171402475
Molecular FormulaC45H27N3S2
Molecular Weight673.87 g/mol
Exact Mass673.16
IUPAC Name2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5sc6ccccc6c45)c3-c3ccc4c(c3)sc3ccccc34)n2)cc1
InChIInChI=1S/C45H27N3S2/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)36-21-11-19-33(34-20-12-24-39-42(34)35-18-8-10-23-38(35)49-39)41(36)30-25-26-32-31-17-7-9-22-37(31)50-40(32)27-30/h1-27H
InChIKeyYXHWYJIAHWSLSA-UHFFFAOYSA-N
XLogP12.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.87
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(9-dibenzothiophen-1-yldibenzothiophen-3-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155377527
2-[9-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170193405
2,4-diphenyl-6-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 155050162
2,4-diphenyl-6-(7-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 166952302
2-(2-dibenzothiophen-3-ylphenyl)-4-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146251324
2-dibenzothiophen-1-yl-4-phenyl-6-triphenylen-2-yl-1,3,5-triazine
CID 139305007
2-(4-dibenzothiophen-3-ylnaphthalen-1-yl)-4-phenyl-6-(5-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 172509591
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139305041
2,4-bis(4-phenylphenyl)-6-[9-(4-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 164797737
2,4-di(dibenzothiophen-1-yl)-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 139304948
2-[7-(2-dibenzothiophen-3-ylphenyl)dibenzothiophen-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170192093
2,4-diphenyl-6-[9-(1-phenyldibenzothiophen-3-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199264

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 171402475) is 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5sc6ccccc6c45)c3-c3ccc4c(c3)sc3ccccc34)n2)cc1.
What is the InChIKey of 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is YXHWYJIAHWSLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3S2/c1-3-13-28(14-4-1)43-46-44(29-15-5-2-6-16-29)48-45(47-43)36-21-11-19-33(34-20-12-24-39-42(34)35-18-8-10-23-38(35)49-39)41(36)30-25-26-32-31-17-7-9-22-37(31)50-40(32)27-30/h1-27H.
What are the key properties of 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 673.87 g/mol, XLogP of 12.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzothiophen-1-yl-2-dibenzothiophen-3-ylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 171402475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).