2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole

C74H76N4O — CID 176756903

About 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole

2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole (PubChem CID 176756903) has the molecular formula C74H76N4O and a molecular weight of 1046.50 g/mol. Its IUPAC name is 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole.

Molecular Properties

• Compound Name: 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole
• PubChem CID: 176756903
• Molecular Formula: C74H76N4O
• Molecular Weight: 1046.50 g/mol
• Exact Mass: 1045.66
• IUPAC Name: 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole
• SMILES: [2H]C([2H])([2H])C(c1cc(-c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)c(-c7ccccc7)cn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H]
• InChI: InChI=1S/C74H76N4O/c1-70(2,3)51-39-50(40-52(42-51)71(4,5)6)57-29-22-28-56(49-33-36-61-63(41-49)74(12,13)38-37-73(61,10)11)69(57)77-47-76(65-31-19-20-32-66(65)77)53-25-21-26-54(43-53)79-55-34-35-59-58-27-17-18-30-64(58)78(67(59)44-55)68-45-62(72(7,8)9)60(46-75-68)48-23-15-14-16-24-48/h14-36,39-46H,37-38,47H2,1-13H3/i1D3,2D3,3D3
• InChIKey: DHUNXUBQHYFVGA-GQALSZNTSA-N
• XLogP: 20.46
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.50
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole?

The IUPAC name of 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole (CID 176756903) is 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole.

What is the SMILES notation for 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole?

The canonical SMILES for 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole is [2H]C([2H])([2H])C(c1cc(-c2cccc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C(C)(C)C)c(-c7ccccc7)cn6)c5c4)c3)c3ccccc32)cc(C(C)(C)C)c1)(C([2H])([2H])[2H])C([2H])([2H])[2H].

What is the InChIKey of 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole?

The InChIKey is DHUNXUBQHYFVGA-GQALSZNTSA-N. The full InChI is InChI=1S/C74H76N4O/c1-70(2,3)51-39-50(40-52(42-51)71(4,5)6)57-29-22-28-56(49-33-36-61-63(41-49)74(12,13)38-37-73(61,10)11)69(57)77-47-76(65-31-19-20-32-66(65)77)53-25-21-26-54(43-53)79-55-34-35-59-58-27-17-18-30-64(58)78(67(59)44-55)68-45-62(72(7,8)9)60(46-75-68)48-23-15-14-16-24-48/h14-36,39-46H,37-38,47H2,1-13H3/i1D3,2D3,3D3.

What are the key properties of 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole?

2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole has a molecular weight of 1046.50 g/mol, XLogP of 20.46, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2-[3-tert-butyl-5-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]phenyl]-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-(4-tert-butyl-5-phenyl-2-pyridinyl)carbazole is sourced from PubChem (CID 176756903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).