9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole

C64H58N4O — CID 162177244

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (PubChem CID 162177244) has the molecular formula C64H58N4O and a molecular weight of 899.20 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
• PubChem CID: 162177244
• Molecular Formula: C64H58N4O
• Molecular Weight: 899.20 g/mol
• Exact Mass: 898.46
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C64H58N4O/c1-62(2,3)48-34-35-65-61(40-48)68-57-33-30-49(63(4,5)46-22-13-9-14-23-46)39-56(57)55-32-31-54(42-60(55)68)69-53-27-19-26-51(41-53)66-43-67(59-29-18-17-28-58(59)66)52-37-45(44-20-11-8-12-21-44)36-50(38-52)64(6,7)47-24-15-10-16-25-47/h8-42H,43H2,1-7H3
• InChIKey: CAOXWRGYCLNKCO-UHFFFAOYSA-N
• XLogP: 16.83
• 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	899.20
LogP ≤ 5	16.83
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)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole (CID 162177244) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

The InChIKey is CAOXWRGYCLNKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H58N4O/c1-62(2,3)48-34-35-65-61(40-48)68-57-33-30-49(63(4,5)46-22-13-9-14-23-46)39-56(57)55-32-31-54(42-60(55)68)69-53-27-19-26-51(41-53)66-43-67(59-29-18-17-28-58(59)66)52-37-45(44-20-11-8-12-21-44)36-50(38-52)64(6,7)47-24-15-10-16-25-47/h8-42H,43H2,1-7H3.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole?

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole has a molecular weight of 899.20 g/mol, XLogP of 16.83, 10 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)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2-phenylpropan-2-yl)carbazole is sourced from PubChem (CID 162177244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).