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

C59H64N4O — CID 155651105

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 155651105) has the molecular formula C59H64N4O and a molecular weight of 845.19 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 155651105
• Molecular Formula: C59H64N4O
• Molecular Weight: 845.19 g/mol
• Exact Mass: 844.51
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)c1cc(C(C)C)c(-c2cccc(N3CN(c4cc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)cc(C(C)(C)C)c4)c4ccccc43)c2)c(C(C)C)c1
• InChI: InChI=1S/C59H64N4O/c1-37(2)41-29-50(38(3)4)57(51(30-41)39(5)6)40-18-17-19-44(28-40)61-36-62(54-23-16-15-22-53(54)61)45-31-43(59(10,11)12)32-47(34-45)64-46-24-25-49-48-20-13-14-21-52(48)63(55(49)35-46)56-33-42(26-27-60-56)58(7,8)9/h13-35,37-39H,36H2,1-12H3
• InChIKey: UGDOUBAHNJBHLE-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	845.19
LogP ≤ 5	16.85
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-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 155651105) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)c1cc(C(C)C)c(-c2cccc(N3CN(c4cc(Oc5ccc6c7ccccc7n(-c7cc(C(C)(C)C)ccn7)c6c5)cc(C(C)(C)C)c4)c4ccccc43)c2)c(C(C)C)c1.

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

The InChIKey is UGDOUBAHNJBHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H64N4O/c1-37(2)41-29-50(38(3)4)57(51(30-41)39(5)6)40-18-17-19-44(28-40)61-36-62(54-23-16-15-22-53(54)61)45-31-43(59(10,11)12)32-47(34-45)64-46-24-25-49-48-20-13-14-21-52(48)63(55(49)35-46)56-33-42(26-27-60-56)58(7,8)9/h13-35,37-39H,36H2,1-12H3.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 845.19 g/mol, XLogP of 16.85, 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)-2-[3-tert-butyl-5-[3-[3-[2,4,6-tri(propan-2-yl)phenyl]phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 155651105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).