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

C66H62N4O — CID 170780323

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

9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (PubChem CID 170780323) has the molecular formula C66H62N4O and a molecular weight of 940.33 g/mol. Its IUPAC name is 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• PubChem CID: 170780323
• Molecular Formula: C66H62N4O
• Molecular Weight: 940.33 g/mol
• Exact Mass: 939.57
• IUPAC Name: 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole
• SMILES: [2H]c1nc(-n2c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3c3ccc(Oc4cccc(N5CN(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)c4)cc32)c([2H])c(C(C)(C)C)c1[2H]
• InChI: InChI=1S/C66H62N4O/c1-64(2,3)48-34-35-67-62(40-48)70-58-33-30-46(44-20-12-10-13-21-44)38-57(58)56-32-31-53(42-61(56)70)71-52-25-18-24-51(41-52)68-43-69(60-29-17-16-28-59(60)68)63-54(45-22-14-11-15-23-45)26-19-27-55(63)47-36-49(65(4,5)6)39-50(37-47)66(7,8)9/h10-42H,43H2,1-9H3/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,34D,35D,40D
• InChIKey: ARUQUEKUVCOBBA-AIMAZXQQSA-N
• XLogP: 18.11
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	940.33
LogP ≤ 5	18.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole (CID 170780323) is 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole.

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

The canonical SMILES for 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is [2H]c1nc(-n2c3ccc(-c4c([2H])c([2H])c([2H])c([2H])c4[2H])cc3c3ccc(Oc4cccc(N5CN(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6c([2H])c([2H])c([2H])c([2H])c6[2H])c6ccccc65)c4)cc32)c([2H])c(C(C)(C)C)c1[2H].

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

The InChIKey is ARUQUEKUVCOBBA-AIMAZXQQSA-N. The full InChI is InChI=1S/C66H62N4O/c1-64(2,3)48-34-35-67-62(40-48)70-58-33-30-46(44-20-12-10-13-21-44)38-57(58)56-32-31-53(42-61(56)70)71-52-25-18-24-51(41-52)68-43-69(60-29-17-16-28-59(60)68)63-54(45-22-14-11-15-23-45)26-19-27-55(63)47-36-49(65(4,5)6)39-50(37-47)66(7,8)9/h10-42H,43H2,1-9H3/i10D,11D,12D,13D,14D,15D,20D,21D,22D,23D,34D,35D,40D.

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

9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole has a molecular weight of 940.33 g/mol, XLogP of 18.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-3,5,6-trideuterio-2-pyridinyl)-2-[3-[3-[2-(3,5-ditert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-6-(2,3,4,5,6-pentadeuteriophenyl)carbazole is sourced from PubChem (CID 170780323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).