2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

C59H54N4O — CID 161047690

About 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (PubChem CID 161047690) has the molecular formula C59H54N4O and a molecular weight of 835.11 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• PubChem CID: 161047690
• Molecular Formula: C59H54N4O
• Molecular Weight: 835.11 g/mol
• Exact Mass: 834.43
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole
• SMILES: CC(C)(c1ccccc1)c1cc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C2)cc(C(C)(C)c2ccccc2)c1
• InChI: InChI=1S/C59H54N4O/c1-57(2,42-19-10-7-11-20-42)45-31-32-60-56(38-45)63-54-28-17-16-27-52(54)53-30-29-51(40-55(53)63)64-50-26-18-25-48(39-50)61-33-34-62(41-61)49-36-46(58(3,4)43-21-12-8-13-22-43)35-47(37-49)59(5,6)44-23-14-9-15-24-44/h7-40H,41H2,1-6H3
• InChIKey: DDHADMAFHOPWEK-UHFFFAOYSA-N
• XLogP: 14.70
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.11
LogP ≤ 5	14.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole (CID 161047690) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is CC(C)(c1ccccc1)c1cc(N2C=CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)c7ccccc7)ccn6)c5c4)c3)C2)cc(C(C)(C)c2ccccc2)c1.

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

The InChIKey is DDHADMAFHOPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54N4O/c1-57(2,42-19-10-7-11-20-42)45-31-32-60-56(38-45)63-54-28-17-16-27-52(54)53-30-29-51(40-55(53)63)64-50-26-18-25-48(39-50)61-33-34-62(41-61)49-36-46(58(3,4)43-21-12-8-13-22-43)35-47(37-49)59(5,6)44-23-14-9-15-24-44/h7-40H,41H2,1-6H3.

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole has a molecular weight of 835.11 g/mol, XLogP of 14.70, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-2H-imidazol-1-yl]phenoxy]-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]carbazole is sourced from PubChem (CID 161047690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).