4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

C143H83N13O3S4 — CID 159827583

IUPAC4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C55H31N5OS2.2C44H26N4OS/c1-3-14-32(15-4-1)52-56-48(50-49(57-52)40-21-7-9-25-43(40)61-50)35-28-29-41-46(31-35)62-45-27-13-24-42(47(41)45)55-59-53(33-16-5-2-6-17-33)58-54(60-55)36-19-11-18-34(30-36)37-22-12-23-39-38-20-8-10-26-44(38)63-51(37)39;1-4-13-27(14-5-1)34-26-35(46-43(45-34)28-15-6-2-7-16-28)31-20-12-22-37-39(31)33-24-23-30(25-38(33)50-37)40-42-41(32-19-10-11-21-36(32)49-42)48-44(47-40)29-17-8-3-9-18-29;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-44(45-34)33-20-12-22-37-39(33)32-24-23-30(25-38(32)50-37)40-42-41(31-19-10-11-21-36(31)49-42)48-43(47-40)29-17-8-3-9-18-29/h1-31H;2*1-26H
InChIKeyNNASEKAKLPTQNI-UHFFFAOYSA-N
MW2159.59 g/mol
LogP39.04
Rot. Bonds16

About 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine

4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 159827583) has the molecular formula C143H83N13O3S4 and a molecular weight of 2159.59 g/mol. Its IUPAC name is 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID159827583
Molecular FormulaC143H83N13O3S4
Molecular Weight2159.59 g/mol
Exact Mass2157.56
IUPAC Name4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)n2)cc1
InChIInChI=1S/C55H31N5OS2.2C44H26N4OS/c1-3-14-32(15-4-1)52-56-48(50-49(57-52)40-21-7-9-25-43(40)61-50)35-28-29-41-46(31-35)62-45-27-13-24-42(47(41)45)55-59-53(33-16-5-2-6-17-33)58-54(60-55)36-19-11-18-34(30-36)37-22-12-23-39-38-20-8-10-26-44(38)63-51(37)39;1-4-13-27(14-5-1)34-26-35(46-43(45-34)28-15-6-2-7-16-28)31-20-12-22-37-39(31)33-24-23-30(25-38(33)50-37)40-42-41(32-19-10-11-21-36(32)49-42)48-44(47-40)29-17-8-3-9-18-29;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-44(45-34)33-20-12-22-37-39(33)32-24-23-30(25-38(32)50-37)40-42-41(31-19-10-11-21-36(31)49-42)48-43(47-40)29-17-8-3-9-18-29/h1-31H;2*1-26H
InChIKeyNNASEKAKLPTQNI-UHFFFAOYSA-N
XLogP39.04
TPSA206.99 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002159.59
LogP ≤ 539.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309403
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 142519215
2-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 153196260
4-[3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309597
4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 142519265
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 159196754
4-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978385
2-phenyl-4-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 154978686
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146962855
2-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978300
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-3-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 157376639
4-(3-dibenzothiophen-4-ylphenyl)-6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-c]quinoline
CID 159299055

Frequently Asked Questions

What is the IUPAC name of 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 159827583) is 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccc5c4sc4ccccc45)c3)nc(-c3cccc4sc5cc(-c6nc(-c7ccccc7)nc7c6oc6ccccc67)ccc5c34)n2)cc1.
What is the InChIKey of 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NNASEKAKLPTQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H31N5OS2.2C44H26N4OS/c1-3-14-32(15-4-1)52-56-48(50-49(57-52)40-21-7-9-25-43(40)61-50)35-28-29-41-46(31-35)62-45-27-13-24-42(47(41)45)55-59-53(33-16-5-2-6-17-33)58-54(60-55)36-19-11-18-34(30-36)37-22-12-23-39-38-20-8-10-26-44(38)63-51(37)39;1-4-13-27(14-5-1)34-26-35(46-43(45-34)28-15-6-2-7-16-28)31-20-12-22-37-39(31)33-24-23-30(25-38(33)50-37)40-42-41(32-19-10-11-21-36(32)49-42)48-44(47-40)29-17-8-3-9-18-29;1-4-13-27(14-5-1)34-26-35(28-15-6-2-7-16-28)46-44(45-34)33-20-12-22-37-39(33)32-24-23-30(25-38(32)50-37)40-42-41(31-19-10-11-21-36(31)49-42)48-43(47-40)29-17-8-3-9-18-29/h1-31H;2*1-26H.
What are the key properties of 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine?
4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 2159.59 g/mol, XLogP of 39.04, 16 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[9-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(2,6-diphenylpyrimidin-4-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 159827583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).