9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole

C60H54N4O — CID 161071998

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 161071998) has the molecular formula C60H54N4O and a molecular weight of 847.12 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 161071998
• Molecular Formula: C60H54N4O
• Molecular Weight: 847.12 g/mol
• Exact Mass: 846.43
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(-n5[c-][n+](-c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5)c4)cc32)c1
• InChI: InChI=1S/C60H54N4O/c1-58(2,3)46-30-31-61-57(38-46)64-55-29-26-47(59(4,5)44-20-13-9-14-21-44)37-54(55)53-28-27-52(40-56(53)64)65-51-25-17-24-49(39-51)62-32-33-63(41-62)50-35-43(42-18-11-8-12-19-42)34-48(36-50)60(6,7)45-22-15-10-16-23-45/h8-40H,1-7H3
• InChIKey: AWTHBFDUOGYZIJ-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	847.12
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (CID 161071998) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(-n5[c-][n+](-c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

The InChIKey is AWTHBFDUOGYZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54N4O/c1-58(2,3)46-30-31-61-57(38-46)64-55-29-26-47(59(4,5)44-20-13-9-14-21-44)37-54(55)53-28-27-52(40-56(53)64)65-51-25-17-24-49(39-51)62-32-33-63(41-62)50-35-43(42-18-11-8-12-19-42)34-48(36-50)60(6,7)45-22-15-10-16-23-45/h8-40H,1-7H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 847.12 g/mol, XLogP of 14.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 161071998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).