6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
C206H130N22O2 — CID 158303621
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1
InChIInChI=1S/C56H36N6.C50H32N6.2C50H31N5O/c1-4-16-37(17-5-1)48-36-57-62-52(39-18-6-2-7-19-39)51(46-24-10-11-25-47(46)53(48)62)38-28-30-41(31-29-38)55-58-54(40-20-8-3-9-21-40)59-56(60-55)42-32-34-43(35-33-42)61-49-26-14-12-22-44(49)45-23-13-15-27-50(45)61;1-4-17-33(18-5-1)42-32-51-56-46(34-19-6-2-7-20-34)45(40-27-10-11-28-41(40)47(42)56)36-23-16-24-37(31-36)49-52-48(35-21-8-3-9-22-35)53-50(54-49)55-43-29-14-12-25-38(43)39-26-13-15-30-44(39)55;1-4-16-32(17-5-1)42-31-51-55-45(33-18-6-2-7-19-33)44(38-25-10-11-26-39(38)46(42)55)35-22-14-23-36(30-35)49-52-48(34-20-8-3-9-21-34)53-50(54-49)41-28-15-27-40-37-24-12-13-29-43(37)56-47(40)41;1-4-15-32(16-5-1)42-31-51-55-45(34-17-6-2-7-18-34)44(38-22-10-11-23-39(38)46(42)55)33-27-29-36(30-28-33)49-52-48(35-19-8-3-9-20-35)53-50(54-49)41-25-14-24-40-37-21-12-13-26-43(37)56-47(40)41/h1-36H;1-32H;2*1-31H
InChIKeyGMUKSCOYYHSWAM-UHFFFAOYSA-N
MW2945.46 g/mol
LogP51.02
Rot. Bonds25
About 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline
6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline (PubChem CID 158303621) has the molecular formula C206H130N22O2 and a molecular weight of 2945.46 g/mol. Its IUPAC name is 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline.
Molecular Properties
| Compound Name | 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline |
|---|---|
| PubChem CID | 158303621 |
| Molecular Formula | C206H130N22O2 |
| Molecular Weight | 2945.46 g/mol |
| Exact Mass | 2943.07 |
| IUPAC Name | 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline |
| SMILES | c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/C56H36N6.C50H32N6.2C50H31N5O/c1-4-16-37(17-5-1)48-36-57-62-52(39-18-6-2-7-19-39)51(46-24-10-11-25-47(46)53(48)62)38-28-30-41(31-29-38)55-58-54(40-20-8-3-9-21-40)59-56(60-55)42-32-34-43(35-33-42)61-49-26-14-12-22-44(49)45-23-13-15-27-50(45)61;1-4-17-33(18-5-1)42-32-51-56-46(34-19-6-2-7-20-34)45(40-27-10-11-28-41(40)47(42)56)36-23-16-24-37(31-36)49-52-48(35-21-8-3-9-22-35)53-50(54-49)55-43-29-14-12-25-38(43)39-26-13-15-30-44(39)55;1-4-16-32(17-5-1)42-31-51-55-45(33-18-6-2-7-19-33)44(38-25-10-11-26-39(38)46(42)55)35-22-14-23-36(30-35)49-52-48(34-20-8-3-9-21-34)53-50(54-49)41-28-15-27-40-37-24-12-13-29-43(37)56-47(40)41;1-4-15-32(16-5-1)42-31-51-55-45(34-17-6-2-7-18-34)44(38-22-10-11-23-39(38)46(42)55)33-27-29-36(30-28-33)49-52-48(35-19-8-3-9-20-35)53-50(54-49)41-25-14-24-40-37-21-12-13-26-43(37)56-47(40)41/h1-36H;1-32H;2*1-31H |
| InChIKey | GMUKSCOYYHSWAM-UHFFFAOYSA-N |
| XLogP | 51.02 |
| TPSA | 260.02 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 230 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2945.46 |
| LogP ≤ 5 | 51.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 24 |
Frequently Asked Questions
What is the IUPAC name of 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The IUPAC name of 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline (CID 158303621) is 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline.
What is the SMILES notation for 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The canonical SMILES for 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline is c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)n5ncc(-c6ccccc6)c5c5ccccc45)c3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.
What is the InChIKey of 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
The InChIKey is GMUKSCOYYHSWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6.C50H32N6.2C50H31N5O/c1-4-16-37(17-5-1)48-36-57-62-52(39-18-6-2-7-19-39)51(46-24-10-11-25-47(46)53(48)62)38-28-30-41(31-29-38)55-58-54(40-20-8-3-9-21-40)59-56(60-55)42-32-34-43(35-33-42)61-49-26-14-12-22-44(49)45-23-13-15-27-50(45)61;1-4-17-33(18-5-1)42-32-51-56-46(34-19-6-2-7-20-34)45(40-27-10-11-28-41(40)47(42)56)36-23-16-24-37(31-36)49-52-48(35-21-8-3-9-22-35)53-50(54-49)55-43-29-14-12-25-38(43)39-26-13-15-30-44(39)55;1-4-16-32(17-5-1)42-31-51-55-45(33-18-6-2-7-19-33)44(38-25-10-11-26-39(38)46(42)55)35-22-14-23-36(30-35)49-52-48(34-20-8-3-9-21-34)53-50(54-49)41-28-15-27-40-37-24-12-13-29-43(37)56-47(40)41;1-4-15-32(16-5-1)42-31-51-55-45(34-17-6-2-7-18-34)44(38-22-10-11-23-39(38)46(42)55)33-27-29-36(30-28-33)49-52-48(35-19-8-3-9-20-35)53-50(54-49)41-25-14-24-40-37-21-12-13-26-43(37)56-47(40)41/h1-36H;1-32H;2*1-31H.
What are the key properties of 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline?
6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline has a molecular weight of 2945.46 g/mol, XLogP of 51.02, 25 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[3-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline;6-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1,5-diphenylpyrazolo[5,1-a]isoquinoline is sourced from PubChem (CID 158303621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158303621 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.