3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine

C73H44N12 — CID 23391351

About 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine

3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine (PubChem CID 23391351) has the molecular formula C73H44N12 and a molecular weight of 1089.24 g/mol. Its IUPAC name is 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine
• PubChem CID: 23391351
• Molecular Formula: C73H44N12
• Molecular Weight: 1089.24 g/mol
• Exact Mass: 1088.38
• IUPAC Name: 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine
• SMILES: c1ccc(-n2c(-c3ccc4c(c3)C3(c5cc(-c6nc7cccnc7n6-c6ccccc6)ccc5-4)c4cc(-c5nc6cccnc6n5-c5ccccc5)ccc4-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc43)nc3cccnc32)cc1
• InChI: InChI=1S/C73H44N12/c1-5-17-49(18-6-1)82-65(78-61-25-13-37-74-69(61)82)45-29-33-53-54-34-30-46(66-79-62-26-14-38-75-70(62)83(66)50-19-7-2-8-20-50)42-58(54)73(57(53)41-45)59-43-47(67-80-63-27-15-39-76-71(63)84(67)51-21-9-3-10-22-51)31-35-55(59)56-36-32-48(44-60(56)73)68-81-64-28-16-40-77-72(64)85(68)52-23-11-4-12-24-52/h1-44H
• InChIKey: MKTWRVNSQHWLNG-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 122.84 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1089.24
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine?

The IUPAC name of 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine (CID 23391351) is 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine.

What is the SMILES notation for 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine?

The canonical SMILES for 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine is c1ccc(-n2c(-c3ccc4c(c3)C3(c5cc(-c6nc7cccnc7n6-c6ccccc6)ccc5-4)c4cc(-c5nc6cccnc6n5-c5ccccc5)ccc4-c4ccc(-c5nc6cccnc6n5-c5ccccc5)cc43)nc3cccnc32)cc1.

What is the InChIKey of 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine?

The InChIKey is MKTWRVNSQHWLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H44N12/c1-5-17-49(18-6-1)82-65(78-61-25-13-37-74-69(61)82)45-29-33-53-54-34-30-46(66-79-62-26-14-38-75-70(62)83(66)50-19-7-2-8-20-50)42-58(54)73(57(53)41-45)59-43-47(67-80-63-27-15-39-76-71(63)84(67)51-21-9-3-10-22-51)31-35-55(59)56-36-32-48(44-60(56)73)68-81-64-28-16-40-77-72(64)85(68)52-23-11-4-12-24-52/h1-44H.

What are the key properties of 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine?

3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine has a molecular weight of 1089.24 g/mol, XLogP of 15.63, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-phenyl-2-[2',7,7'-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)-9,9'-spirobi[fluorene]-2-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 23391351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).