4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole

C56H54N4 — CID 135250550

About 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole

4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole (PubChem CID 135250550) has the molecular formula C56H54N4 and a molecular weight of 783.08 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole.

Molecular Properties

• Compound Name: 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole
• PubChem CID: 135250550
• Molecular Formula: C56H54N4
• Molecular Weight: 783.08 g/mol
• Exact Mass: 782.43
• IUPAC Name: 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole
• SMILES: CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)cc2)N(c2ccccc2)C1(C)C
• InChI: InChI=1S/C56H54N4/c1-53(2)55(5,6)59(49-20-14-10-15-21-49)51(57-53)44-32-28-42(29-33-44)47-36-46(41-26-24-40(25-27-41)39-18-12-9-13-19-39)37-48(38-47)43-30-34-45(35-31-43)52-58-54(3,4)56(7,8)60(52)50-22-16-11-17-23-50/h9-38H,1-8H3
• InChIKey: QVZFPXWXFWZBGE-UHFFFAOYSA-N
• XLogP: 14.00
• TPSA: 31.20 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.08
LogP ≤ 5	14.00
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-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole?

The IUPAC name of 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole (CID 135250550) is 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole.

What is the SMILES notation for 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole?

The canonical SMILES for 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole is CC1(C)N=C(c2ccc(-c3cc(-c4ccc(C5=NC(C)(C)C(C)(C)N5c5ccccc5)cc4)cc(-c4ccc(-c5ccccc5)cc4)c3)cc2)N(c2ccccc2)C1(C)C.

What is the InChIKey of 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole?

The InChIKey is QVZFPXWXFWZBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H54N4/c1-53(2)55(5,6)59(49-20-14-10-15-21-49)51(57-53)44-32-28-42(29-33-44)47-36-46(41-26-24-40(25-27-41)39-18-12-9-13-19-39)37-48(38-47)43-30-34-45(35-31-43)52-58-54(3,4)56(7,8)60(52)50-22-16-11-17-23-50/h9-38H,1-8H3.

What are the key properties of 4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole?

4,4,5,5-tetramethyl-1-phenyl-2-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole has a molecular weight of 783.08 g/mol, XLogP of 14.00, 8 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-[4-[3-(4-phenylphenyl)-5-[4-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)phenyl]phenyl]phenyl]imidazole is sourced from PubChem (CID 135250550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).