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

C61H68N4O — CID 161429388

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 161429388) has the molecular formula C61H68N4O and a molecular weight of 873.24 g/mol. Its IUPAC name is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 161429388
• Molecular Formula: C61H68N4O
• Molecular Weight: 873.24 g/mol
• Exact Mass: 872.54
• IUPAC Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: CC(C)(C)c1cc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccc(C(C)(C)c4ccccc4)cc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C61H68N4O/c1-57(2,3)41-23-27-52-51(34-41)50-26-25-49(38-54(50)65(52)56-36-42(29-30-62-56)58(4,5)6)66-48-22-18-21-46(37-48)63-39-64(47-32-44(59(7,8)9)31-45(33-47)60(10,11)12)55-35-43(24-28-53(55)63)61(13,14)40-19-16-15-17-20-40/h15-38H,39H2,1-14H3
• InChIKey: WLTOIEQKPCGNDN-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	873.24
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 161429388) is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole is CC(C)(C)c1cc(N2CN(c3cccc(Oc4ccc5c6cc(C(C)(C)C)ccc6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccc(C(C)(C)c4ccccc4)cc32)cc(C(C)(C)C)c1.

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

The InChIKey is WLTOIEQKPCGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H68N4O/c1-57(2,3)41-23-27-52-51(34-41)50-26-25-49(38-54(50)65(52)56-36-42(29-30-62-56)58(4,5)6)66-48-22-18-21-46(37-48)63-39-64(47-32-44(59(7,8)9)31-45(33-47)60(10,11)12)55-35-43(24-28-53(55)63)61(13,14)40-19-16-15-17-20-40/h15-38H,39H2,1-14H3.

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 873.24 g/mol, XLogP of 16.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-5-(2-phenylpropan-2-yl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 161429388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).