2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

C204H116N12O4S8 — CID 163439299

IUPAC2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7c(c6)sc6ccccc67)cc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6cccc7sc8ccccc8c67)cc(-c6cccc7sc8ccccc8c67)cc5c4c3)n2)cc1
InChIInChI=1S/4C51H29N3OS2/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-41-38(27-32)40-29-33(34-19-11-23-44-46(34)36-17-7-9-21-42(36)56-44)28-39(48(40)55-41)35-20-12-24-45-47(35)37-18-8-10-22-43(37)57-45;1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-43-40(27-32)42-29-33(34-19-11-20-37-35-17-7-9-23-44(35)56-47(34)37)28-41(46(42)55-43)39-22-12-21-38-36-18-8-10-24-45(36)57-48(38)39;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-43-39(27-34)42-29-35(32-20-23-46-40(25-32)36-15-7-9-17-44(36)56-46)28-38(48(42)55-43)33-21-24-47-41(26-33)37-16-8-10-18-45(37)57-47;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-24-43-41(25-34)42-27-35(32-19-22-38-36-15-7-9-17-44(36)56-46(38)28-32)26-40(48(42)55-43)33-20-23-39-37-16-8-10-18-45(37)57-47(39)29-33/h4*1-29H
InChIKeyAXDWNCIFMFNRFY-UHFFFAOYSA-N
MW3055.79 g/mol
LogP59.37
Rot. Bonds20

About 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 163439299) has the molecular formula C204H116N12O4S8 and a molecular weight of 3055.79 g/mol. Its IUPAC name is 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID163439299
Molecular FormulaC204H116N12O4S8
Molecular Weight3055.79 g/mol
Exact Mass3052.70
IUPAC Name2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7c(c6)sc6ccccc67)cc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6cccc7sc8ccccc8c67)cc(-c6cccc7sc8ccccc8c67)cc5c4c3)n2)cc1
InChIInChI=1S/4C51H29N3OS2/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-41-38(27-32)40-29-33(34-19-11-23-44-46(34)36-17-7-9-21-42(36)56-44)28-39(48(40)55-41)35-20-12-24-45-47(35)37-18-8-10-22-43(37)57-45;1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-43-40(27-32)42-29-33(34-19-11-20-37-35-17-7-9-23-44(35)56-47(34)37)28-41(46(42)55-43)39-22-12-21-38-36-18-8-10-24-45(36)57-48(38)39;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-43-39(27-34)42-29-35(32-20-23-46-40(25-32)36-15-7-9-17-44(36)56-46)28-38(48(42)55-43)33-21-24-47-41(26-33)37-16-8-10-18-45(37)57-47;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-24-43-41(25-34)42-27-35(32-19-22-38-36-15-7-9-17-44(36)56-46(38)28-32)26-40(48(42)55-43)33-20-23-39-37-16-8-10-18-45(37)57-47(39)29-33/h4*1-29H
InChIKeyAXDWNCIFMFNRFY-UHFFFAOYSA-N
XLogP59.37
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003055.79
LogP ≤ 559.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 163599214
2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496603
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
2,4-diphenyl-6-[9-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170199155
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-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-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine;2-(6-dibenzofuran-4-yldibenzothiophen-4-yl)-4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazine
CID 158804411
2-[3-(8-dibenzothiophen-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377191
2-dibenzofuran-1-yl-4-phenyl-6-[6-(2-phenyldibenzofuran-4-yl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 170202632
2-(3-dibenzothiophen-1-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-3-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167660422

Frequently Asked Questions

What is the IUPAC name of 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 163439299) is 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7c(c6)sc6ccccc67)cc(-c6ccc7c(c6)sc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6ccc7sc8ccccc8c7c6)cc(-c6ccc7sc8ccccc8c7c6)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6cccc7c6sc6ccccc67)cc(-c6cccc7c6sc6ccccc67)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4oc5c(-c6cccc7sc8ccccc8c67)cc(-c6cccc7sc8ccccc8c67)cc5c4c3)n2)cc1.
What is the InChIKey of 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AXDWNCIFMFNRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C51H29N3OS2/c1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-41-38(27-32)40-29-33(34-19-11-23-44-46(34)36-17-7-9-21-42(36)56-44)28-39(48(40)55-41)35-20-12-24-45-47(35)37-18-8-10-22-43(37)57-45;1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-43-40(27-32)42-29-33(34-19-11-20-37-35-17-7-9-23-44(35)56-47(34)37)28-41(46(42)55-43)39-22-12-21-38-36-18-8-10-24-45(36)57-48(38)39;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-43-39(27-34)42-29-35(32-20-23-46-40(25-32)36-15-7-9-17-44(36)56-46)28-38(48(42)55-43)33-21-24-47-41(26-33)37-16-8-10-18-45(37)57-47;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-24-43-41(25-34)42-27-35(32-19-22-38-36-15-7-9-17-44(36)56-46(38)28-32)26-40(48(42)55-43)33-20-23-39-37-16-8-10-18-45(37)57-47(39)29-33/h4*1-29H.
What are the key properties of 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 3055.79 g/mol, XLogP of 59.37, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,8-di(dibenzothiophen-1-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-2-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-3-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine;2-[6,8-di(dibenzothiophen-4-yl)dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 163439299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).