2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol

C56H40N4O — CID 162783650

About 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol

2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol (PubChem CID 162783650) has the molecular formula C56H40N4O and a molecular weight of 791.00 g/mol. Its IUPAC name is 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol.

Molecular Properties

• Compound Name: 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol
• PubChem CID: 162783650
• Molecular Formula: C56H40N4O
• Molecular Weight: 791.00 g/mol
• Exact Mass: 790.36
• IUPAC Name: 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol
• SMILES: [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])([2H])[2H])cc4-c4ccccc4)cc4c5ccccc5n(-c5ccccc5)c34)c2)cc1
• InChI: InChI=1S/C56H40N4O/c1-36-24-27-38(28-25-36)40-30-31-57-49(35-40)48-34-41(33-47-44-18-9-11-21-50(44)59(55(47)48)42-16-7-4-8-17-42)43-20-13-22-52-54(43)58-56(45-19-10-12-23-53(45)61)60(52)51-29-26-37(2)32-46(51)39-14-5-3-6-15-39/h3-35,61H,1-2H3/i1D3,2D3
• InChIKey: JTYQVDRRTMDHDU-WFGJKAKNSA-N
• XLogP: 14.18
• TPSA: 55.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.00
LogP ≤ 5	14.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol?

The IUPAC name of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol (CID 162783650) is 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol.

What is the SMILES notation for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol?

The canonical SMILES for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol is [2H]C([2H])([2H])c1ccc(-c2ccnc(-c3cc(-c4cccc5c4nc(-c4ccccc4O)n5-c4ccc(C([2H])([2H])[2H])cc4-c4ccccc4)cc4c5ccccc5n(-c5ccccc5)c34)c2)cc1.

What is the InChIKey of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol?

The InChIKey is JTYQVDRRTMDHDU-WFGJKAKNSA-N. The full InChI is InChI=1S/C56H40N4O/c1-36-24-27-38(28-25-36)40-30-31-57-49(35-40)48-34-41(33-47-44-18-9-11-21-50(44)59(55(47)48)42-16-7-4-8-17-42)43-20-13-22-52-54(43)58-56(45-19-10-12-23-53(45)61)60(52)51-29-26-37(2)32-46(51)39-14-5-3-6-15-39/h3-35,61H,1-2H3/i1D3,2D3.

What are the key properties of 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol?

2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol has a molecular weight of 791.00 g/mol, XLogP of 14.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-[9-phenyl-1-[4-[4-(trideuteriomethyl)phenyl]-2-pyridinyl]carbazol-3-yl]benzimidazol-2-yl]phenol is sourced from PubChem (CID 162783650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).