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

C69H68N4O — CID 177082941

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

2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole (PubChem CID 177082941) has the molecular formula C69H68N4O and a molecular weight of 978.38 g/mol. Its IUPAC name is 2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
• PubChem CID: 177082941
• Molecular Formula: C69H68N4O
• Molecular Weight: 978.38 g/mol
• Exact Mass: 977.60
• IUPAC Name: 2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole
• SMILES: [2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6ccc(-c7ccc(C(C)(C)C)cc7C([2H])([2H])[2H])cc6C([2H])([2H])[2H])c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C69H68N4O/c1-44-33-34-70-65(35-44)73-61-24-14-13-21-58(61)59-32-29-54(42-64(59)73)74-53-20-17-19-52(41-53)71-43-72(63-26-16-15-25-62(63)71)66-57(48-38-50(68(7,8)9)40-51(39-48)69(10,11)12)22-18-23-60(66)56-30-27-47(36-45(56)2)55-31-28-49(37-46(55)3)67(4,5)6/h13-42H,43H2,1-12H3/i1D3,2D3,3D3
• InChIKey: GUYBXAWUAYEABI-GQALSZNTSA-N
• XLogP: 19.04
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	978.38
LogP ≤ 5	19.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole (CID 177082941) is 2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole is [2H]C([2H])([2H])c1ccnc(-n2c3ccccc3c3ccc(Oc4cccc(N5CN(c6c(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)cccc6-c6ccc(-c7ccc(C(C)(C)C)cc7C([2H])([2H])[2H])cc6C([2H])([2H])[2H])c6ccccc65)c4)cc32)c1.

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

The InChIKey is GUYBXAWUAYEABI-GQALSZNTSA-N. The full InChI is InChI=1S/C69H68N4O/c1-44-33-34-70-65(35-44)73-61-24-14-13-21-58(61)59-32-29-54(42-64(59)73)74-53-20-17-19-52(41-53)71-43-72(63-26-16-15-25-62(63)71)66-57(48-38-50(68(7,8)9)40-51(39-48)69(10,11)12)22-18-23-60(66)56-30-27-47(36-45(56)2)55-31-28-49(37-46(55)3)67(4,5)6/h13-42H,43H2,1-12H3/i1D3,2D3,3D3.

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

2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole has a molecular weight of 978.38 g/mol, XLogP of 19.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[4-[4-tert-butyl-2-(trideuteriomethyl)phenyl]-2-(trideuteriomethyl)phenyl]-6-(3,5-ditert-butylphenyl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-(trideuteriomethyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 177082941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).