9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole

C64H58N4O — CID 163602316

About 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole

9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole (PubChem CID 163602316) has the molecular formula C64H58N4O and a molecular weight of 902.21 g/mol. Its IUPAC name is 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
• PubChem CID: 163602316
• Molecular Formula: C64H58N4O
• Molecular Weight: 902.21 g/mol
• Exact Mass: 901.48
• IUPAC Name: 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole
• SMILES: [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(-c7ccccc7)cc(C(C)(C)C)c6)c6ccccc65)c4)cc32)c1
• InChI: InChI=1S/C64H58N4O/c1-42-32-49(63(3,4)5)33-43(2)62(42)47-30-31-65-61(37-47)68-57-29-26-46(44-18-11-9-12-19-44)36-56(57)55-28-27-54(40-60(55)68)69-53-23-17-22-51(39-53)66-41-67(59-25-16-15-24-58(59)66)52-35-48(45-20-13-10-14-21-45)34-50(38-52)64(6,7)8/h9-40H,41H2,1-8H3/i1D3
• InChIKey: FRDFMCUMEQKPAJ-FIBGUPNXSA-N
• XLogP: 17.43
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	902.21
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole (CID 163602316) is 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole.

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

The canonical SMILES for 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole is [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C)c1-c1ccnc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cccc(N5CN(c6cc(-c7ccccc7)cc(C(C)(C)C)c6)c6ccccc65)c4)cc32)c1.

What is the InChIKey of 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole?

The InChIKey is FRDFMCUMEQKPAJ-FIBGUPNXSA-N. The full InChI is InChI=1S/C64H58N4O/c1-42-32-49(63(3,4)5)33-43(2)62(42)47-30-31-65-61(37-47)68-57-29-26-46(44-18-11-9-12-19-44)36-56(57)55-28-27-54(40-60(55)68)69-53-23-17-22-51(39-53)66-41-67(59-25-16-15-24-58(59)66)52-35-48(45-20-13-10-14-21-45)34-50(38-52)64(6,7)8/h9-40H,41H2,1-8H3/i1D3.

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

9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole has a molecular weight of 902.21 g/mol, XLogP of 17.43, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-tert-butyl-2-methyl-6-(trideuteriomethyl)phenyl]-2-pyridinyl]-2-[3-[3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-1-yl]phenoxy]-6-phenylcarbazole is sourced from PubChem (CID 163602316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).