3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline

C144H84N12O6 — CID 161283130

IUPAC3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cc4ccccc4cn3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc4cccnc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cnc4ccccc4c3)n2)cc1
InChIInChI=1S/3C48H28N4O2/c1-2-12-29(13-3-1)46-50-47(52-48(51-46)34-24-30-14-4-7-21-41(30)49-28-34)33-26-31(35-17-10-19-39-37-15-5-8-22-42(37)53-44(35)39)25-32(27-33)36-18-11-20-40-38-16-6-9-23-43(38)54-45(36)40;1-2-12-30(13-3-1)46-50-47(52-48(51-46)40-22-8-14-29-15-11-25-49-43(29)40)33-27-31(34-18-9-20-38-36-16-4-6-23-41(36)53-44(34)38)26-32(28-33)35-19-10-21-39-37-17-5-7-24-42(37)54-45(35)39;1-2-12-29(13-3-1)46-50-47(52-48(51-46)41-27-30-14-4-5-15-31(30)28-49-41)34-25-32(35-18-10-20-39-37-16-6-8-22-42(37)53-44(35)39)24-33(26-34)36-19-11-21-40-38-17-7-9-23-43(38)54-45(36)40/h3*1-28H
InChIKeyVFIXFGROVJZTPA-UHFFFAOYSA-N
MW2078.33 g/mol
LogP37.66
Rot. Bonds15

About 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline

3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline (PubChem CID 161283130) has the molecular formula C144H84N12O6 and a molecular weight of 2078.33 g/mol. Its IUPAC name is 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline.

Molecular Properties

Compound Name3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
PubChem CID161283130
Molecular FormulaC144H84N12O6
Molecular Weight2078.33 g/mol
Exact Mass2076.66
IUPAC Name3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cc4ccccc4cn3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc4cccnc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cnc4ccccc4c3)n2)cc1
InChIInChI=1S/3C48H28N4O2/c1-2-12-29(13-3-1)46-50-47(52-48(51-46)34-24-30-14-4-7-21-41(30)49-28-34)33-26-31(35-17-10-19-39-37-15-5-8-22-42(37)53-44(35)39)25-32(27-33)36-18-11-20-40-38-16-6-9-23-43(38)54-45(36)40;1-2-12-30(13-3-1)46-50-47(52-48(51-46)40-22-8-14-29-15-11-25-49-43(29)40)33-27-31(34-18-9-20-38-36-16-4-6-23-41(36)53-44(34)38)26-32(28-33)35-19-10-21-39-37-17-5-7-24-42(37)54-45(35)39;1-2-12-29(13-3-1)46-50-47(52-48(51-46)41-27-30-14-4-5-15-31(30)28-49-41)34-25-32(35-18-10-20-39-37-16-6-8-22-42(37)53-44(35)39)24-33(26-34)36-19-11-21-40-38-17-7-9-23-43(38)54-45(36)40/h3*1-28H
InChIKeyVFIXFGROVJZTPA-UHFFFAOYSA-N
XLogP37.66
TPSA233.52 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds15
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002078.33
LogP ≤ 537.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline with MolForge

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Related Compounds

3-[4-(3-dibenzofuran-4-yl-5-quinolin-3-ylphenyl)phenyl]-1,10-phenanthroline
CID 171459799
10-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzo[g]quinoline
CID 153466285
5-[3-bromo-5-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 151172267
3-[4-dibenzofuran-4-yl-6-(3-phenanthren-4-ylphenyl)-1,3,5-triazin-2-yl]-1,10-phenanthroline
CID 169278727
2-(3-bromo-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 142752625
2-dibenzofuran-4-yl-4-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)-6-phenyl-1,3,5-triazine
CID 154949955
2-dibenzofuran-4-yl-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 139441684
3-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline;8-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 159550988
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 153466225
8-[4-[3,5-di(anthracen-1-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 153466143
3-[4-[3-(5a-methyl-9aH-dibenzofuran-4-yl)-5-dibenzofuran-4-ylphenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline
CID 163967046

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The IUPAC name of 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline (CID 161283130) is 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline.
What is the SMILES notation for 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The canonical SMILES for 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline is c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cc4ccccc4cn3)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cccc4cccnc34)n2)cc1.c1ccc(-c2nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc(-c3cnc4ccccc4c3)n2)cc1.
What is the InChIKey of 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
The InChIKey is VFIXFGROVJZTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/3C48H28N4O2/c1-2-12-29(13-3-1)46-50-47(52-48(51-46)34-24-30-14-4-7-21-41(30)49-28-34)33-26-31(35-17-10-19-39-37-15-5-8-22-42(37)53-44(35)39)25-32(27-33)36-18-11-20-40-38-16-6-9-23-43(38)54-45(36)40;1-2-12-30(13-3-1)46-50-47(52-48(51-46)40-22-8-14-29-15-11-25-49-43(29)40)33-27-31(34-18-9-20-38-36-16-4-6-23-41(36)53-44(34)38)26-32(28-33)35-19-10-21-39-37-17-5-7-24-42(37)54-45(35)39;1-2-12-29(13-3-1)46-50-47(52-48(51-46)41-27-30-14-4-5-15-31(30)28-49-41)34-25-32(35-18-10-20-39-37-16-6-8-22-42(37)53-44(35)39)24-33(26-34)36-19-11-21-40-38-17-7-9-23-43(38)54-45(36)40/h3*1-28H.
What are the key properties of 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline?
3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline has a molecular weight of 2078.33 g/mol, XLogP of 37.66, 15 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]isoquinoline;3-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline;8-[4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]quinoline is sourced from PubChem (CID 161283130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).