4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole

C63H56N4 — CID 135249937

About 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole

4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole (PubChem CID 135249937) has the molecular formula C63H56N4 and a molecular weight of 869.17 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole
• PubChem CID: 135249937
• Molecular Formula: C63H56N4
• Molecular Weight: 869.17 g/mol
• Exact Mass: 868.45
• IUPAC Name: 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole
• SMILES: CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)c5)ccc3-4)c2)N(c2ccccc2)C1(C)C
• InChI: InChI=1S/C63H56N4/c1-59(2)61(5,6)66(47-25-11-9-12-26-47)57(64-59)45-23-19-21-41(37-45)43-33-35-51-52-36-34-44(40-56(52)63(55(51)39-43)53-31-17-15-29-49(53)50-30-16-18-32-54(50)63)42-22-20-24-46(38-42)58-65-60(3,4)62(7,8)67(58)48-27-13-10-14-28-48/h9-40H,1-8H3
• InChIKey: MYHXZHRGMOWDQH-UHFFFAOYSA-N
• XLogP: 15.01
• TPSA: 31.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	869.17
LogP ≤ 5	15.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole?

The IUPAC name of 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole (CID 135249937) is 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole.

What is the SMILES notation for 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole?

The canonical SMILES for 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole is CC1(C)N=C(c2cccc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5cccc(C6=NC(C)(C)C(C)(C)N6c6ccccc6)c5)ccc3-4)c2)N(c2ccccc2)C1(C)C.

What is the InChIKey of 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole?

The InChIKey is MYHXZHRGMOWDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H56N4/c1-59(2)61(5,6)66(47-25-11-9-12-26-47)57(64-59)45-23-19-21-41(37-45)43-33-35-51-52-36-34-44(40-56(52)63(55(51)39-43)53-31-17-15-29-49(53)50-30-16-18-32-54(50)63)42-22-20-24-46(38-42)58-65-60(3,4)62(7,8)67(58)48-27-13-10-14-28-48/h9-40H,1-8H3.

What are the key properties of 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole?

4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole has a molecular weight of 869.17 g/mol, XLogP of 15.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4,5,5-tetramethyl-1-phenyl-2-[3-[7'-[3-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]imidazole is sourced from PubChem (CID 135249937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).