2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole

C69H72N4O — CID 163419323

About 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole

2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole (PubChem CID 163419323) has the molecular formula C69H72N4O and a molecular weight of 982.42 g/mol. Its IUPAC name is 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole.

Molecular Properties

• Compound Name: 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole
• PubChem CID: 163419323
• Molecular Formula: C69H72N4O
• Molecular Weight: 982.42 g/mol
• Exact Mass: 981.63
• IUPAC Name: 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cc(-c5c(C([2H])([2H])[2H])cc(C(C)(C)C)cc5C([2H])([2H])[2H])cc(-n5cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cn5)c4)cc32)ncc1-c1cccc(C(C)(C)C)c1
• InChI: InChI=1S/C69H72N4O/c1-43-30-64(70-41-61(43)48-22-19-23-52(31-48)66(4,5)6)73-62-27-24-47(46-20-17-16-18-21-46)36-60(62)59-26-25-57(39-63(59)73)74-58-35-50(65-44(2)28-53(29-45(65)3)67(7,8)9)34-56(38-58)72-42-51(40-71-72)49-32-54(68(10,11)12)37-55(33-49)69(13,14)15/h16-42H,1-15H3/i1D3,2D3,3D3
• InChIKey: CVOXPOOYFMXECO-GQALSZNTSA-N
• XLogP: 18.94
• TPSA: 44.87 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	982.42
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole (CID 163419323) is 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole.

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

The canonical SMILES for 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole is [2H]C([2H])([2H])c1cc(-n2c3ccc(-c4ccccc4)cc3c3ccc(Oc4cc(-c5c(C([2H])([2H])[2H])cc(C(C)(C)C)cc5C([2H])([2H])[2H])cc(-n5cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)cn5)c4)cc32)ncc1-c1cccc(C(C)(C)C)c1.

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

The InChIKey is CVOXPOOYFMXECO-GQALSZNTSA-N. The full InChI is InChI=1S/C69H72N4O/c1-43-30-64(70-41-61(43)48-22-19-23-52(31-48)66(4,5)6)73-62-27-24-47(46-20-17-16-18-21-46)36-60(62)59-26-25-57(39-63(59)73)74-58-35-50(65-44(2)28-53(29-45(65)3)67(7,8)9)34-56(38-58)72-42-51(40-71-72)49-32-54(68(10,11)12)37-55(33-49)69(13,14)15/h16-42H,1-15H3/i1D3,2D3,3D3.

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

2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole has a molecular weight of 982.42 g/mol, XLogP of 18.94, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-5-[4-(3,5-ditert-butylphenyl)pyrazol-1-yl]phenoxy]-9-[5-(3-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-6-phenylcarbazole is sourced from PubChem (CID 163419323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).