2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

C243H152N16O2S5 — CID 161147296

IUPAC2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2cc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)ccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4sc5ccccc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C61H41N3O.C51H30N4OS.2C46H29N3S.C39H23N3S2/c1-61(2)51-23-14-22-47(60-62-53(38-15-6-3-7-16-38)37-54(63-60)39-17-8-4-9-18-39)59(51)46-29-25-43(36-52(46)61)42-28-32-58-50(35-42)49-34-41(27-31-57(49)65-58)40-26-30-56-48(33-40)45-21-12-13-24-55(45)64(56)44-19-10-5-11-20-44;1-4-14-31(15-5-1)49-52-50(32-16-6-2-7-17-32)54-51(53-49)38-26-25-35(48-47(38)37-21-11-13-23-46(37)57-48)33-24-27-42-39(28-33)40-29-41-36-20-10-12-22-44(36)56-45(41)30-43(40)55(42)34-18-8-3-9-19-34;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)37-26-25-34(45-44(37)36-21-11-13-23-43(36)50-45)32-24-27-42-38(28-32)35-20-10-12-22-41(35)49(42)33-18-8-3-9-19-33;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)38-27-33(28-44-45(38)36-21-11-13-23-43(36)50-44)32-24-25-42-37(26-32)35-20-10-12-22-41(35)49(42)34-18-8-3-9-19-34;1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)29-15-9-17-35-36(29)31-23-27(19-21-34(31)44-35)26-18-20-33-30(22-26)28-14-7-8-16-32(28)43-33/h3-37H,1-2H3;1-30H;2*1-29H;1-23H
InChIKeyUOFMPRVDOPBEHL-UHFFFAOYSA-N
MW3488.33 g/mol
LogP66.51
Rot. Bonds25

About 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole

2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (PubChem CID 161147296) has the molecular formula C243H152N16O2S5 and a molecular weight of 3488.33 g/mol. Its IUPAC name is 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.

Molecular Properties

Compound Name2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
PubChem CID161147296
Molecular FormulaC243H152N16O2S5
Molecular Weight3488.33 g/mol
Exact Mass3485.09
IUPAC Name2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole
SMILESCC1(C)c2cc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)ccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4sc5ccccc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c34)n2)cc1
InChIInChI=1S/C61H41N3O.C51H30N4OS.2C46H29N3S.C39H23N3S2/c1-61(2)51-23-14-22-47(60-62-53(38-15-6-3-7-16-38)37-54(63-60)39-17-8-4-9-18-39)59(51)46-29-25-43(36-52(46)61)42-28-32-58-50(35-42)49-34-41(27-31-57(49)65-58)40-26-30-56-48(33-40)45-21-12-13-24-55(45)64(56)44-19-10-5-11-20-44;1-4-14-31(15-5-1)49-52-50(32-16-6-2-7-17-32)54-51(53-49)38-26-25-35(48-47(38)37-21-11-13-23-46(37)57-48)33-24-27-42-39(28-33)40-29-41-36-20-10-12-22-44(36)56-45(41)30-43(40)55(42)34-18-8-3-9-19-34;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)37-26-25-34(45-44(37)36-21-11-13-23-43(36)50-45)32-24-27-42-38(28-32)35-20-10-12-22-41(35)49(42)33-18-8-3-9-19-33;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)38-27-33(28-44-45(38)36-21-11-13-23-43(36)50-44)32-24-25-42-37(26-32)35-20-10-12-22-41(35)49(42)34-18-8-3-9-19-34;1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)29-15-9-17-35-36(29)31-23-27(19-21-34(31)44-35)26-18-20-33-30(22-26)28-14-7-8-16-32(28)43-33/h3-37H,1-2H3;1-30H;2*1-29H;1-23H
InChIKeyUOFMPRVDOPBEHL-UHFFFAOYSA-N
XLogP66.51
TPSA200.68 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms266
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003488.33
LogP ≤ 566.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The IUPAC name of 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole (CID 161147296) is 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole.
What is the SMILES notation for 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The canonical SMILES for 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is CC1(C)c2cc(-c3ccc4oc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)ccc2-c2c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cccc21.c1ccc(-c2cc(-c3ccccc3)nc(-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc4sc5ccccc5c34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)c4cc6c(cc4n5-c4ccccc4)oc4ccccc46)c4sc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6ccc7sc8ccccc8c7c6)cc5c34)n2)cc1.
What is the InChIKey of 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
The InChIKey is UOFMPRVDOPBEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3O.C51H30N4OS.2C46H29N3S.C39H23N3S2/c1-61(2)51-23-14-22-47(60-62-53(38-15-6-3-7-16-38)37-54(63-60)39-17-8-4-9-18-39)59(51)46-29-25-43(36-52(46)61)42-28-32-58-50(35-42)49-34-41(27-31-57(49)65-58)40-26-30-56-48(33-40)45-21-12-13-24-55(45)64(56)44-19-10-5-11-20-44;1-4-14-31(15-5-1)49-52-50(32-16-6-2-7-17-32)54-51(53-49)38-26-25-35(48-47(38)37-21-11-13-23-46(37)57-48)33-24-27-42-39(28-33)40-29-41-36-20-10-12-22-44(36)56-45(41)30-43(40)55(42)34-18-8-3-9-19-34;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)37-26-25-34(45-44(37)36-21-11-13-23-43(36)50-45)32-24-27-42-38(28-32)35-20-10-12-22-41(35)49(42)33-18-8-3-9-19-33;1-4-14-30(15-5-1)39-29-40(31-16-6-2-7-17-31)48-46(47-39)38-27-33(28-44-45(38)36-21-11-13-23-43(36)50-44)32-24-25-42-37(26-32)35-20-10-12-22-41(35)49(42)34-18-8-3-9-19-34;1-3-10-24(11-4-1)37-40-38(25-12-5-2-6-13-25)42-39(41-37)29-15-9-17-35-36(29)31-23-27(19-21-34(31)44-35)26-18-20-33-30(22-26)28-14-7-8-16-32(28)43-33/h3-37H,1-2H3;1-30H;2*1-29H;1-23H.
What are the key properties of 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole?
2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole has a molecular weight of 3488.33 g/mol, XLogP of 66.51, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-dibenzothiophen-2-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-9-phenylcarbazole;3-[1-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-4-yl]-9-phenylcarbazole;3-[8-[5-(4,6-diphenylpyrimidin-2-yl)-9,9-dimethylfluoren-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole;10-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-7-phenyl-[1]benzofuro[2,3-b]carbazole is sourced from PubChem (CID 161147296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).