9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole

C58H50N4O — CID 167387926

About 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole

9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole (PubChem CID 167387926) has the molecular formula C58H50N4O and a molecular weight of 819.07 g/mol. Its IUPAC name is 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole
• PubChem CID: 167387926
• Molecular Formula: C58H50N4O
• Molecular Weight: 819.07 g/mol
• Exact Mass: 818.40
• IUPAC Name: 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole
• SMILES: Cc1cnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5nccn5-c5c(C(C)C)cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5C(C)C)c4)cc32)cc1C
• InChI: InChI=1S/C58H50N4O/c1-37(2)52-33-47(45-25-23-44(24-26-45)43-21-19-42(20-22-43)41-13-8-7-9-14-41)34-53(38(3)4)57(52)61-30-29-59-58(61)46-15-12-16-48(32-46)63-49-27-28-51-50-17-10-11-18-54(50)62(55(51)35-49)56-31-39(5)40(6)36-60-56/h7-38H,1-6H3
• InChIKey: VDWAKPIUQWCWEY-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.07
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole?

The IUPAC name of 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole (CID 167387926) is 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole.

What is the SMILES notation for 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole?

The canonical SMILES for 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole is Cc1cnc(-n2c3ccccc3c3ccc(Oc4cccc(-c5nccn5-c5c(C(C)C)cc(-c6ccc(-c7ccc(-c8ccccc8)cc7)cc6)cc5C(C)C)c4)cc32)cc1C.

What is the InChIKey of 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole?

The InChIKey is VDWAKPIUQWCWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H50N4O/c1-37(2)52-33-47(45-25-23-44(24-26-45)43-21-19-42(20-22-43)41-13-8-7-9-14-41)34-53(38(3)4)57(52)61-30-29-59-58(61)46-15-12-16-48(32-46)63-49-27-28-51-50-17-10-11-18-54(50)62(55(51)35-49)56-31-39(5)40(6)36-60-56/h7-38H,1-6H3.

What are the key properties of 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole?

9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole has a molecular weight of 819.07 g/mol, XLogP of 15.69, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,5-dimethyl-2-pyridinyl)-2-[3-[1-[4-[4-(4-phenylphenyl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]carbazole is sourced from PubChem (CID 167387926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).