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

C58H54N4O — CID 158114989

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

9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 158114989) has the molecular formula C58H54N4O and a molecular weight of 823.10 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 158114989
• Molecular Formula: C58H54N4O
• Molecular Weight: 823.10 g/mol
• Exact Mass: 822.43
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6cccc(C(C)(C)c7ccccc7)c6)c6ccccc65)c4)ccc3c3c(C(C)(C)c4ccccc4)cccc32)c1
• InChI: InChI=1S/C58H54N4O/c1-56(2,3)42-33-34-59-54(36-42)62-52-30-18-27-49(58(6,7)41-21-12-9-13-22-41)55(52)48-32-31-47(38-53(48)62)63-46-26-17-25-45(37-46)61-39-60(50-28-14-15-29-51(50)61)44-24-16-23-43(35-44)57(4,5)40-19-10-8-11-20-40/h8-38H,39H2,1-7H3
• InChIKey: BDXMOCBRFSVVPU-UHFFFAOYSA-N
• XLogP: 15.17
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.10
LogP ≤ 5	15.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 158114989) is 9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1ccnc(-n2c3cc(Oc4cccc(N5CN(c6cccc(C(C)(C)c7ccccc7)c6)c6ccccc65)c4)ccc3c3c(C(C)(C)c4ccccc4)cccc32)c1.

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

The InChIKey is BDXMOCBRFSVVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H54N4O/c1-56(2,3)42-33-34-59-54(36-42)62-52-30-18-27-49(58(6,7)41-21-12-9-13-22-41)55(52)48-32-31-47(38-53(48)62)63-46-26-17-25-45(37-46)61-39-60(50-28-14-15-29-51(50)61)44-24-16-23-43(35-44)57(4,5)40-19-10-8-11-20-40/h8-38H,39H2,1-7H3.

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

9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 823.10 g/mol, XLogP of 15.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-5-(2-phenylpropan-2-yl)-2-[3-[3-[3-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 158114989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).