4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine

C202H113N21O3S8 — CID 158955259

IUPAC4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8oc9ccccc9c8c7)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1
InChIInChI=1S/C55H32N6S2.3C49H27N5OS2/c1-4-16-33(17-5-1)52-58-53(34-18-6-2-7-19-34)60-55(59-52)41-25-15-29-46-48(41)47-40(24-14-28-45(47)62-46)54-56-49(51-50(57-54)39-23-11-13-27-44(39)63-51)35-30-31-38-37-22-10-12-26-42(37)61(43(38)32-35)36-20-8-3-9-21-36;1-3-14-28(15-4-1)46-52-47(29-16-5-2-6-17-29)54-49(53-46)34-22-13-27-39-41(34)40-33(21-12-26-38(40)56-39)48-50-42-32-19-8-10-25-37(32)57-45(42)43(51-48)35-23-11-20-31-30-18-7-9-24-36(30)55-44(31)35;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)35-20-12-24-40-42(35)41-34(19-11-23-39(41)56-40)48-50-43(45-44(51-48)33-18-8-10-22-38(33)57-45)30-25-26-32-31-17-7-9-21-36(31)55-37(32)27-30;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)34-20-12-24-40-42(34)41-33(19-11-23-39(41)56-40)48-50-43(45-44(51-48)32-18-8-10-22-38(32)57-45)30-25-26-37-35(27-30)31-17-7-9-21-36(31)55-37/h1-32H;3*1-27H
InChIKeyJLXPYJQDCKGSEW-UHFFFAOYSA-N
MW3138.81 g/mol
LogP55.72
Rot. Bonds21

About 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine

4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 158955259) has the molecular formula C202H113N21O3S8 and a molecular weight of 3138.81 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID158955259
Molecular FormulaC202H113N21O3S8
Molecular Weight3138.81 g/mol
Exact Mass3135.71
IUPAC Name4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8oc9ccccc9c8c7)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1
InChIInChI=1S/C55H32N6S2.3C49H27N5OS2/c1-4-16-33(17-5-1)52-58-53(34-18-6-2-7-19-34)60-55(59-52)41-25-15-29-46-48(41)47-40(24-14-28-45(47)62-46)54-56-49(51-50(57-54)39-23-11-13-27-44(39)63-51)35-30-31-38-37-22-10-12-26-42(37)61(43(38)32-35)36-20-8-3-9-21-36;1-3-14-28(15-4-1)46-52-47(29-16-5-2-6-17-29)54-49(53-46)34-22-13-27-39-41(34)40-33(21-12-26-38(40)56-39)48-50-42-32-19-8-10-25-37(32)57-45(42)43(51-48)35-23-11-20-31-30-18-7-9-24-36(30)55-44(31)35;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)35-20-12-24-40-42(35)41-34(19-11-23-39(41)56-40)48-50-43(45-44(51-48)33-18-8-10-22-38(33)57-45)30-25-26-32-31-17-7-9-21-36(31)55-37(32)27-30;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)34-20-12-24-40-42(34)41-33(19-11-23-39(41)56-40)48-50-43(45-44(51-48)32-18-8-10-22-38(32)57-45)30-25-26-37-35(27-30)31-17-7-9-21-36(31)55-37/h1-32H;3*1-27H
InChIKeyJLXPYJQDCKGSEW-UHFFFAOYSA-N
XLogP55.72
TPSA302.15 Ų
H-Bond Donors
H-Bond Acceptors32
Rotatable Bonds21
Heavy Atoms234
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003138.81
LogP ≤ 555.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1032

Analyze 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine (CID 158955259) is 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8c(c7)oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8c9ccccc9n(-c9ccccc9)c8c7)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7ccc8oc9ccccc9c8c7)c7sc8ccccc8c7n6)c5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cccc(-c6nc(-c7cccc8c7oc7ccccc78)c7sc8ccccc8c7n6)c5c34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is JLXPYJQDCKGSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N6S2.3C49H27N5OS2/c1-4-16-33(17-5-1)52-58-53(34-18-6-2-7-19-34)60-55(59-52)41-25-15-29-46-48(41)47-40(24-14-28-45(47)62-46)54-56-49(51-50(57-54)39-23-11-13-27-44(39)63-51)35-30-31-38-37-22-10-12-26-42(37)61(43(38)32-35)36-20-8-3-9-21-36;1-3-14-28(15-4-1)46-52-47(29-16-5-2-6-17-29)54-49(53-46)34-22-13-27-39-41(34)40-33(21-12-26-38(40)56-39)48-50-42-32-19-8-10-25-37(32)57-45(42)43(51-48)35-23-11-20-31-30-18-7-9-24-36(30)55-44(31)35;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)35-20-12-24-40-42(35)41-34(19-11-23-39(41)56-40)48-50-43(45-44(51-48)33-18-8-10-22-38(33)57-45)30-25-26-32-31-17-7-9-21-36(31)55-37(32)27-30;1-3-13-28(14-4-1)46-52-47(29-15-5-2-6-16-29)54-49(53-46)34-20-12-24-40-42(34)41-33(19-11-23-39(41)56-40)48-50-43(45-44(51-48)32-18-8-10-22-38(32)57-45)30-25-26-37-35(27-30)31-17-7-9-21-36(31)55-37/h1-32H;3*1-27H.
What are the key properties of 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine?
4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 3138.81 g/mol, XLogP of 55.72, 21 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-3-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-dibenzofuran-4-yl-2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-(9-phenylcarbazol-2-yl)-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 158955259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).