4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol

C52H48N4O2 — CID 164727868

About 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol

4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol (PubChem CID 164727868) has the molecular formula C52H48N4O2 and a molecular weight of 760.98 g/mol. Its IUPAC name is 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol.

Molecular Properties

• Compound Name: 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol
• PubChem CID: 164727868
• Molecular Formula: C52H48N4O2
• Molecular Weight: 760.98 g/mol
• Exact Mass: 760.38
• IUPAC Name: 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cc(Oc2cccc(-c3c(O)ccc4c3CC3(Cc5ccccc5C3)C4)n2)nc(N2CN(c3ccccc3)c3ccccc32)c1
• InChI: InChI=1S/C52H48N4O2/c1-33(2)40-18-12-19-41(34(3)4)50(40)38-26-47(56-32-55(39-16-6-5-7-17-39)44-21-10-11-22-45(44)56)54-49(27-38)58-48-23-13-20-43(53-48)51-42-31-52(30-37(42)24-25-46(51)57)28-35-14-8-9-15-36(35)29-52/h5-27,33-34,57H,28-32H2,1-4H3
• InChIKey: SNGPRDOGIFCHQD-UHFFFAOYSA-N
• XLogP: 12.69
• TPSA: 61.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.98
LogP ≤ 5	12.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol?

The IUPAC name of 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol (CID 164727868) is 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol.

What is the SMILES notation for 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol?

The canonical SMILES for 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol is CC(C)c1cccc(C(C)C)c1-c1cc(Oc2cccc(-c3c(O)ccc4c3CC3(Cc5ccccc5C3)C4)n2)nc(N2CN(c3ccccc3)c3ccccc32)c1.

What is the InChIKey of 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol?

The InChIKey is SNGPRDOGIFCHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N4O2/c1-33(2)40-18-12-19-41(34(3)4)50(40)38-26-47(56-32-55(39-16-6-5-7-17-39)44-21-10-11-22-45(44)56)54-49(27-38)58-48-23-13-20-43(53-48)51-42-31-52(30-37(42)24-25-46(51)57)28-35-14-8-9-15-36(35)29-52/h5-27,33-34,57H,28-32H2,1-4H3.

What are the key properties of 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol?

4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol has a molecular weight of 760.98 g/mol, XLogP of 12.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[[4-[2,6-di(propan-2-yl)phenyl]-6-(3-phenyl-2H-benzimidazol-1-yl)-2-pyridinyl]oxy]-2-pyridinyl]-2,2'-spirobi[1,3-dihydroindene]-5-ol is sourced from PubChem (CID 164727868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).