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

C64H64N4O — CID 158991535

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

2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 158991535) has the molecular formula C64H64N4O and a molecular weight of 905.24 g/mol. Its IUPAC name is 2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 158991535
• Molecular Formula: C64H64N4O
• Molecular Weight: 905.24 g/mol
• Exact Mass: 904.51
• IUPAC Name: 2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)C1=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)c6ccccc6)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(-c2ccccc2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C64H64N4O/c1-61(2,3)49-34-45(44-22-14-11-15-23-44)35-52(36-49)67-43-66(42-59(67)62(4,5)6)51-37-50(64(9,10)47-26-18-13-19-27-47)38-54(40-51)69-53-30-31-56-55-28-20-21-29-57(55)68(58(56)41-53)60-39-48(32-33-65-60)63(7,8)46-24-16-12-17-25-46/h11-42H,43H2,1-10H3
• InChIKey: QGCBYSRQRPLEND-UHFFFAOYSA-N
• XLogP: 16.76
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.24
LogP ≤ 5	16.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 158991535) is 2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)C1=CN(c2cc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)c6ccccc6)ccn5)c4c3)cc(C(C)(C)c3ccccc3)c2)CN1c1cc(-c2ccccc2)cc(C(C)(C)C)c1.

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

The InChIKey is QGCBYSRQRPLEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H64N4O/c1-61(2,3)49-34-45(44-22-14-11-15-23-44)35-52(36-49)67-43-66(42-59(67)62(4,5)6)51-37-50(64(9,10)47-26-18-13-19-27-47)38-54(40-51)69-53-30-31-56-55-28-20-21-29-57(55)68(58(56)41-53)60-39-48(32-33-65-60)63(7,8)46-24-16-12-17-25-46/h11-42H,43H2,1-10H3.

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

2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 905.24 g/mol, XLogP of 16.76, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-imidazol-1-yl]-5-(2-phenylpropan-2-yl)phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 158991535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).