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

C204H116N12O4S8 — CID 163599214

IUPAC2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccc6c(c5)sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6sc7ccccc7c56)cc(-c5cccc6sc7ccccc7c56)cc34)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)32-25-26-35-39-27-33(34-19-11-23-44-46(34)37-17-7-9-21-42(37)56-44)28-40(48(39)55-41(35)29-32)36-20-12-24-45-47(36)38-18-8-10-22-43(38)57-45;1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-35-41-27-33(34-19-11-20-38-36-17-7-9-23-44(36)56-47(34)38)28-42(46(41)55-43(35)29-32)40-22-12-21-39-37-18-8-10-24-45(37)57-48(39)40;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-22-36-42-26-35(32-19-23-39-37-15-7-9-17-44(37)56-46(39)28-32)25-41(48(42)55-43(36)27-34)33-20-24-40-38-16-8-10-18-45(38)57-47(40)29-33;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-36-42-28-35(32-20-23-46-40(25-32)37-15-7-9-17-44(37)56-46)27-39(48(42)55-43(36)29-34)33-21-24-47-41(26-33)38-16-8-10-18-45(38)57-47/h4*1-29H
InChIKeyGWDORWWKCLAXHT-UHFFFAOYSA-N
MW3055.79 g/mol
LogP59.37
Rot. Bonds20

About 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

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 (PubChem CID 163599214) 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-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.

Molecular Properties

Compound Name2-[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
PubChem CID163599214
Molecular FormulaC204H116N12O4S8
Molecular Weight3055.79 g/mol
Exact Mass3052.70
IUPAC Name2-[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
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccc6c(c5)sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6sc7ccccc7c56)cc(-c5cccc6sc7ccccc7c56)cc34)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)32-25-26-35-39-27-33(34-19-11-23-44-46(34)37-17-7-9-21-42(37)56-44)28-40(48(39)55-41(35)29-32)36-20-12-24-45-47(36)38-18-8-10-22-43(38)57-45;1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-35-41-27-33(34-19-11-20-38-36-17-7-9-23-44(36)56-47(34)38)28-42(46(41)55-43(35)29-32)40-22-12-21-39-37-18-8-10-24-45(37)57-48(39)40;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-22-36-42-26-35(32-19-23-39-37-15-7-9-17-44(37)56-46(39)28-32)25-41(48(42)55-43(36)27-34)33-20-24-40-38-16-8-10-18-45(38)57-47(40)29-33;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-36-42-28-35(32-20-23-46-40(25-32)37-15-7-9-17-44(37)56-46)27-39(48(42)55-43(36)29-34)33-21-24-47-41(26-33)38-16-8-10-18-45(38)57-47/h4*1-29H
InChIKeyGWDORWWKCLAXHT-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-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6c(c5)sc5ccccc56)cc(-c5ccc6c(c5)sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6c5sc5ccccc56)cc(-c5cccc6c5sc5ccccc56)cc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3c(-c5cccc6sc7ccccc7c56)cc(-c5cccc6sc7ccccc7c56)cc34)n2)cc1.
What is the InChIKey of 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?
The InChIKey is GWDORWWKCLAXHT-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)32-25-26-35-39-27-33(34-19-11-23-44-46(34)37-17-7-9-21-42(37)56-44)28-40(48(39)55-41(35)29-32)36-20-12-24-45-47(36)38-18-8-10-22-43(38)57-45;1-3-13-30(14-4-1)49-52-50(31-15-5-2-6-16-31)54-51(53-49)32-25-26-35-41-27-33(34-19-11-20-38-36-17-7-9-23-44(36)56-47(34)38)28-42(46(41)55-43(35)29-32)40-22-12-21-39-37-18-8-10-24-45(37)57-48(39)40;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-21-22-36-42-26-35(32-19-23-39-37-15-7-9-17-44(37)56-46(39)28-32)25-41(48(42)55-43(36)27-34)33-20-24-40-38-16-8-10-18-45(38)57-47(40)29-33;1-3-11-30(12-4-1)49-52-50(31-13-5-2-6-14-31)54-51(53-49)34-19-22-36-42-28-35(32-20-23-46-40(25-32)37-15-7-9-17-44(37)56-46)27-39(48(42)55-43(36)29-34)33-21-24-47-41(26-33)38-16-8-10-18-45(38)57-47/h4*1-29H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 163599214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).