9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole

C65H58N4 — CID 163669728

About 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole (PubChem CID 163669728) has the molecular formula C65H58N4 and a molecular weight of 895.21 g/mol. Its IUPAC name is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole.

Molecular Properties

• Compound Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole
• PubChem CID: 163669728
• Molecular Formula: C65H58N4
• Molecular Weight: 895.21 g/mol
• Exact Mass: 894.47
• IUPAC Name: 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole
• SMILES: CC(C)(C)c1ccc(-c2cnc(-n3c4ccccc4c4ccc(C(c5ccccc5)(c5ccccc5)c5cccc(N6C=CN(c7ccccc7-c7ccccc7)C6)c5)cc43)cc2C(C)(C)C)cc1
• InChI: InChI=1S/C65H58N4/c1-63(2,3)48-35-33-47(34-36-48)57-44-66-62(43-58(57)64(4,5)6)69-60-32-19-17-30-55(60)56-38-37-52(42-61(56)69)65(49-23-12-8-13-24-49,50-25-14-9-15-26-50)51-27-20-28-53(41-51)67-39-40-68(45-67)59-31-18-16-29-54(59)46-21-10-7-11-22-46/h7-44H,45H2,1-6H3
• InChIKey: RNWSEQYRBHYVPG-UHFFFAOYSA-N
• XLogP: 16.25
• TPSA: 24.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.21
LogP ≤ 5	16.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole?

The IUPAC name of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole (CID 163669728) is 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole.

What is the SMILES notation for 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole?

The canonical SMILES for 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole is CC(C)(C)c1ccc(-c2cnc(-n3c4ccccc4c4ccc(C(c5ccccc5)(c5ccccc5)c5cccc(N6C=CN(c7ccccc7-c7ccccc7)C6)c5)cc43)cc2C(C)(C)C)cc1.

What is the InChIKey of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole?

The InChIKey is RNWSEQYRBHYVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H58N4/c1-63(2,3)48-35-33-47(34-36-48)57-44-66-62(43-58(57)64(4,5)6)69-60-32-19-17-30-55(60)56-38-37-52(42-61(56)69)65(49-23-12-8-13-24-49,50-25-14-9-15-26-50)51-27-20-28-53(41-51)67-39-40-68(45-67)59-31-18-16-29-54(59)46-21-10-7-11-22-46/h7-44H,45H2,1-6H3.

What are the key properties of 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole?

9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole has a molecular weight of 895.21 g/mol, XLogP of 16.25, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-tert-butyl-5-(4-tert-butylphenyl)-2-pyridinyl]-2-[diphenyl-[3-[3-(2-phenylphenyl)-2H-imidazol-1-yl]phenyl]methyl]carbazole is sourced from PubChem (CID 163669728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).