3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
C54H36N12 — CID 23391274
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
SMILESc1ccc(N2c3ncccc3NC2c2cc(-c3nc4cccnc4n3-c3ccccc3)c(-c3nc4cccnc4n3-c3ccccc3)cc2-c2nc3cccnc3n2-c2ccccc2)cc1
InChIInChI=1S/C54H36N12/c1-5-17-35(18-6-1)63-47(59-43-25-13-29-55-51(43)63)39-33-41(49-61-45-27-15-31-57-53(45)65(49)37-21-9-3-10-22-37)42(50-62-46-28-16-32-58-54(46)66(50)38-23-11-4-12-24-38)34-40(39)48-60-44-26-14-30-56-52(44)64(48)36-19-7-2-8-20-36/h1-34,47,59H
InChIKeyFMVRGMLCXJVYHP-UHFFFAOYSA-N
MW852.97 g/mol
LogP11.55
Rot. Bonds8
About 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine (PubChem CID 23391274) has the molecular formula C54H36N12 and a molecular weight of 852.97 g/mol. Its IUPAC name is 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine.
Molecular Properties
| Compound Name | 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine |
|---|---|
| PubChem CID | 23391274 |
| Molecular Formula | C54H36N12 |
| Molecular Weight | 852.97 g/mol |
| Exact Mass | 852.32 |
| IUPAC Name | 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine |
| SMILES | c1ccc(N2c3ncccc3NC2c2cc(-c3nc4cccnc4n3-c3ccccc3)c(-c3nc4cccnc4n3-c3ccccc3)cc2-c2nc3cccnc3n2-c2ccccc2)cc1 |
| InChI | InChI=1S/C54H36N12/c1-5-17-35(18-6-1)63-47(59-43-25-13-29-55-51(43)63)39-33-41(49-61-45-27-15-31-57-53(45)65(49)37-21-9-3-10-22-37)42(50-62-46-28-16-32-58-54(46)66(50)38-23-11-4-12-24-38)34-40(39)48-60-44-26-14-30-56-52(44)64(48)36-19-7-2-8-20-36/h1-34,47,59H |
| InChIKey | FMVRGMLCXJVYHP-UHFFFAOYSA-N |
| XLogP | 11.55 |
| TPSA | 120.29 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Heavy Atoms | 66 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 852.97 |
| LogP ≤ 5 | 11.55 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 12 |
Frequently Asked Questions
What is the IUPAC name of 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine (CID 23391274) is 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine is c1ccc(N2c3ncccc3NC2c2cc(-c3nc4cccnc4n3-c3ccccc3)c(-c3nc4cccnc4n3-c3ccccc3)cc2-c2nc3cccnc3n2-c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
The InChIKey is FMVRGMLCXJVYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N12/c1-5-17-35(18-6-1)63-47(59-43-25-13-29-55-51(43)63)39-33-41(49-61-45-27-15-31-57-53(45)65(49)37-21-9-3-10-22-37)42(50-62-46-28-16-32-58-54(46)66(50)38-23-11-4-12-24-38)34-40(39)48-60-44-26-14-30-56-52(44)64(48)36-19-7-2-8-20-36/h1-34,47,59H.
What are the key properties of 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine?
3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine has a molecular weight of 852.97 g/mol, XLogP of 11.55, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[2-(3-phenyl-1,2-dihydroimidazo[4,5-b]pyridin-2-yl)-4,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 23391274 — identifiers, structure, computed properties (public domain)
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