2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

C135H75N9O3S6 — CID 157050517

IUPAC2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/3C45H25N3OS2/c1-2-9-26(10-3-1)43-46-44(28-19-22-41-36(24-28)33-12-5-6-15-39(33)50-41)48-45(47-43)29-17-20-31-35-23-27(18-21-37(35)49-38(31)25-29)30-13-8-14-34-32-11-4-7-16-40(32)51-42(30)34;1-2-10-26(11-3-1)43-46-44(48-45(47-43)34-16-9-19-40-41(34)33-13-5-7-18-39(33)50-40)28-20-22-30-35-24-27(21-23-36(35)49-37(30)25-28)29-14-8-15-32-31-12-4-6-17-38(31)51-42(29)32;1-2-9-26(10-3-1)43-46-44(48-45(47-43)29-18-21-34-32-11-4-6-15-39(32)50-41(34)25-29)28-17-20-31-36-23-27(19-22-37(36)49-38(31)24-28)30-13-8-14-35-33-12-5-7-16-40(33)51-42(30)35/h3*1-25H
InChIKeyAADMIKNRKGLUCE-UHFFFAOYSA-N
MW2063.55 g/mol
LogP39.52
Rot. Bonds12

About 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine

2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (PubChem CID 157050517) has the molecular formula C135H75N9O3S6 and a molecular weight of 2063.55 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
PubChem CID157050517
Molecular FormulaC135H75N9O3S6
Molecular Weight2063.55 g/mol
Exact Mass2061.43
IUPAC Name2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/3C45H25N3OS2/c1-2-9-26(10-3-1)43-46-44(28-19-22-41-36(24-28)33-12-5-6-15-39(33)50-41)48-45(47-43)29-17-20-31-35-23-27(18-21-37(35)49-38(31)25-29)30-13-8-14-34-32-11-4-7-16-40(32)51-42(30)34;1-2-10-26(11-3-1)43-46-44(48-45(47-43)34-16-9-19-40-41(34)33-13-5-7-18-39(33)50-40)28-20-22-30-35-24-27(21-23-36(35)49-37(30)25-28)29-14-8-15-32-31-12-4-6-17-38(31)51-42(29)32;1-2-9-26(10-3-1)43-46-44(48-45(47-43)29-18-21-34-32-11-4-6-15-39(32)50-41(34)25-29)28-17-20-31-36-23-27(19-22-37(36)49-38(31)24-28)30-13-8-14-35-33-12-5-7-16-40(33)51-42(30)35/h3*1-25H
InChIKeyAADMIKNRKGLUCE-UHFFFAOYSA-N
XLogP39.52
TPSA155.43 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002063.55
LogP ≤ 539.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(9-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(6-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 158245643
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 163712532
2-dibenzofuran-3-yl-4-(4-dibenzothiophen-1-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-2-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-3-ylphenyl)-6-(9-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-dibenzothiophen-4-ylphenyl)-6-(7-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 159819778
2-dibenzothiophen-4-yl-4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6-phenyl-1,3,5-triazine
CID 167346712
2-dibenzofuran-4-yl-4-(6-dibenzofuran-4-yldibenzothiophen-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-1-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 159808130
2-dibenzofuran-1-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(7-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(7-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 159607952
2-dibenzofuran-1-yl-4-(8-dibenzothiophen-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine
CID 162780117
2-(8-dibenzofuran-3-yldibenzofuran-3-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 162780089
2-(9-dibenzofuran-3-yldibenzofuran-1-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 167007548
2-[8-(2-dibenzothiophen-2-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 170191928
2-dibenzothiophen-4-yl-4-phenyl-6-(8-triphenylen-2-yldibenzofuran-3-yl)-1,3,5-triazine
CID 146407726
2-phenyl-4-[7-[7-[4-phenyl-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]dibenzofuran-2-yl]-6-(8-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 155471007

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine (CID 157050517) is 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3ccc4c(c3)sc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc4c(c3)oc3ccc(-c5cccc6c5sc5ccccc56)cc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
The InChIKey is AADMIKNRKGLUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C45H25N3OS2/c1-2-9-26(10-3-1)43-46-44(28-19-22-41-36(24-28)33-12-5-6-15-39(33)50-41)48-45(47-43)29-17-20-31-35-23-27(18-21-37(35)49-38(31)25-29)30-13-8-14-34-32-11-4-7-16-40(32)51-42(30)34;1-2-10-26(11-3-1)43-46-44(48-45(47-43)34-16-9-19-40-41(34)33-13-5-7-18-39(33)50-40)28-20-22-30-35-24-27(21-23-36(35)49-37(30)25-28)29-14-8-15-32-31-12-4-6-17-38(31)51-42(29)32;1-2-9-26(10-3-1)43-46-44(48-45(47-43)29-18-21-34-32-11-4-6-15-39(32)50-41(34)25-29)28-17-20-31-36-23-27(19-22-37(36)49-38(31)24-28)30-13-8-14-35-33-12-5-7-16-40(33)51-42(30)35/h3*1-25H.
What are the key properties of 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine has a molecular weight of 2063.55 g/mol, XLogP of 39.52, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-(8-dibenzothiophen-4-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 157050517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).