9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

C66H62N4O — CID 177083071

About 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 177083071) has the molecular formula C66H62N4O and a molecular weight of 937.31 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 177083071
• Molecular Formula: C66H62N4O
• Molecular Weight: 937.31 g/mol
• Exact Mass: 936.56
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: [2H]c1cc(-c2ccccc2)cc([2H])c1-c1c([2H])c([2H])c([2H])c(-c2c([2H])c(C(C)(C)C)c([2H])c(C([2H])([2H])C(C)C)c2[2H])c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21
• InChI: InChI=1S/C66H62N4O/c1-44(2)36-45-37-49(39-51(38-45)66(6,7)8)56-24-17-23-55(48-30-28-47(29-31-48)46-18-10-9-11-19-46)64(56)69-43-68(60-26-14-15-27-61(60)69)52-20-16-21-53(41-52)71-54-32-33-58-57-22-12-13-25-59(57)70(62(58)42-54)63-40-50(34-35-67-63)65(3,4)5/h9-35,37-42,44H,36,43H2,1-8H3/i17D,23D,24D,30D,31D,36D2,37D,38D,39D
• InChIKey: HTIKSLHCPUDGKR-OXNBTQELSA-N
• XLogP: 18.01
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.31
LogP ≤ 5	18.01
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-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 177083071) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is [2H]c1cc(-c2ccccc2)cc([2H])c1-c1c([2H])c([2H])c([2H])c(-c2c([2H])c(C(C)(C)C)c([2H])c(C([2H])([2H])C(C)C)c2[2H])c1N1CN(c2cccc(Oc3ccc4c5ccccc5n(-c5cc(C(C)(C)C)ccn5)c4c3)c2)c2ccccc21.

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

The InChIKey is HTIKSLHCPUDGKR-OXNBTQELSA-N. The full InChI is InChI=1S/C66H62N4O/c1-44(2)36-45-37-49(39-51(38-45)66(6,7)8)56-24-17-23-55(48-30-28-47(29-31-48)46-18-10-9-11-19-46)64(56)69-43-68(60-26-14-15-27-61(60)69)52-20-16-21-53(41-52)71-54-32-33-58-57-22-12-13-25-59(57)70(62(58)42-54)63-40-50(34-35-67-63)65(3,4)5/h9-35,37-42,44H,36,43H2,1-8H3/i17D,23D,24D,30D,31D,36D2,37D,38D,39D.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 937.31 g/mol, XLogP of 18.01, 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-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1-dideuterio-2-methylpropyl)phenyl]-3,4,5-trideuterio-6-(2,6-dideuterio-4-phenylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 177083071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).