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

C60H56N4O — CID 161450667

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 161450667) has the molecular formula C60H56N4O and a molecular weight of 849.14 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 161450667
• Molecular Formula: C60H56N4O
• Molecular Weight: 849.14 g/mol
• Exact Mass: 848.45
• IUPAC Name: 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C=C2C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C60H56N4O/c1-58(2,3)47-34-43(42-20-11-8-12-21-42)35-49(36-47)63-41-62(40-56(63)60(6,7)45-24-15-10-16-25-45)48-26-19-27-50(38-48)65-51-30-31-53-52-28-17-18-29-54(52)64(55(53)39-51)57-37-46(32-33-61-57)59(4,5)44-22-13-9-14-23-44/h8-40H,41H2,1-7H3
• InChIKey: APYSCHXDTAPFKR-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.14
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 161450667) is 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(C)c1cc(-c2ccccc2)cc(N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C=C2C(C)(C)c2ccccc2)c1.

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

The InChIKey is APYSCHXDTAPFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H56N4O/c1-58(2,3)47-34-43(42-20-11-8-12-21-42)35-49(36-47)63-41-62(40-56(63)60(6,7)45-24-15-10-16-25-45)48-26-19-27-50(38-48)65-51-30-31-53-52-28-17-18-29-54(52)64(55(53)39-51)57-37-46(32-33-61-57)59(4,5)44-22-13-9-14-23-44/h8-40H,41H2,1-7H3.

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

2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 849.14 g/mol, XLogP of 15.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butyl-5-phenylphenyl)-4-(2-phenylpropan-2-yl)-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 161450667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).