10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one

C67H41N13O — CID 20606851

About 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one

10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one (PubChem CID 20606851) has the molecular formula C67H41N13O and a molecular weight of 1044.16 g/mol. Its IUPAC name is 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one.

Molecular Properties

• Compound Name: 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one
• PubChem CID: 20606851
• Molecular Formula: C67H41N13O
• Molecular Weight: 1044.16 g/mol
• Exact Mass: 1043.36
• IUPAC Name: 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one
• SMILES: O=c1c2cc(-c3nc4cccnc4n3-c3ccccc3)c(-c3nc4cccnc4n3-c3ccccc3)cc2n(-c2ccccc2)c2cc(-c3nc4cccnc4n3-c3ccccc3)cc(-c3nc4cccnc4n3-c3ccccc3)c12
• InChI: InChI=1S/C67H41N13O/c81-59-50-40-48(61-73-53-31-17-35-69-65(53)78(61)45-24-10-3-11-25-45)49(62-74-54-32-18-36-70-66(54)79(62)46-26-12-4-13-27-46)41-56(50)76(43-20-6-1-7-21-43)57-39-42(60-72-52-30-16-34-68-64(52)77(60)44-22-8-2-9-23-44)38-51(58(57)59)63-75-55-33-19-37-71-67(55)80(63)47-28-14-5-15-29-47/h1-41H
• InChIKey: JQUFGAFZZUNIFQ-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 144.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1044.16
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one?

The IUPAC name of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one (CID 20606851) is 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one.

What is the SMILES notation for 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one?

The canonical SMILES for 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one is O=c1c2cc(-c3nc4cccnc4n3-c3ccccc3)c(-c3nc4cccnc4n3-c3ccccc3)cc2n(-c2ccccc2)c2cc(-c3nc4cccnc4n3-c3ccccc3)cc(-c3nc4cccnc4n3-c3ccccc3)c12.

What is the InChIKey of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one?

The InChIKey is JQUFGAFZZUNIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H41N13O/c81-59-50-40-48(61-73-53-31-17-35-69-65(53)78(61)45-24-10-3-11-25-45)49(62-74-54-32-18-36-70-66(54)79(62)46-26-12-4-13-27-46)41-56(50)76(43-20-6-1-7-21-43)57-39-42(60-72-52-30-16-34-68-64(52)77(60)44-22-8-2-9-23-44)38-51(58(57)59)63-75-55-33-19-37-71-67(55)80(63)47-28-14-5-15-29-47/h1-41H.

What are the key properties of 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one?

10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one has a molecular weight of 1044.16 g/mol, XLogP of 13.75, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 10-phenyl-1,3,6,7-tetrakis(3-phenylimidazo[4,5-b]pyridin-2-yl)acridin-9-one is sourced from PubChem (CID 20606851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).