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

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).