N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine

C72H74N4O — CID 177133305

About N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine

N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine (PubChem CID 177133305) has the molecular formula C72H74N4O and a molecular weight of 1017.45 g/mol. Its IUPAC name is N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine
• PubChem CID: 177133305
• Molecular Formula: C72H74N4O
• Molecular Weight: 1017.45 g/mol
• Exact Mass: 1016.62
• IUPAC Name: N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine
• SMILES: [2H]C([2H])([2H])c1ccc(Nc2cc(C([2H])([2H])[2H])c(-c3cccc4c3C(C)(C)CCC4(C)C)cn2)c(-c2ccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)c3)cc2)c1
• InChI: InChI=1S/C72H74N4O/c1-47-31-36-63(74-66-40-48(2)61(45-73-66)59-27-20-28-62-67(59)72(11,12)38-37-71(62,9)10)60(39-47)50-32-34-55(35-33-50)77-56-24-18-23-54(44-56)75-46-76(65-30-17-16-29-64(65)75)68-57(49-21-14-13-15-22-49)25-19-26-58(68)51-41-52(69(3,4)5)43-53(42-51)70(6,7)8/h13-36,39-45H,37-38,46H2,1-12H3,(H,73,74)/i1D3,2D3
• InChIKey: SBYILINUFWNGLE-WFGJKAKNSA-N
• XLogP: 20.09
• TPSA: 40.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1017.45
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine?

The IUPAC name of N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine (CID 177133305) is N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine.

What is the SMILES notation for N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine?

The canonical SMILES for N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine is [2H]C([2H])([2H])c1ccc(Nc2cc(C([2H])([2H])[2H])c(-c3cccc4c3C(C)(C)CCC4(C)C)cn2)c(-c2ccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)c3)cc2)c1.

What is the InChIKey of N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine?

The InChIKey is SBYILINUFWNGLE-WFGJKAKNSA-N. The full InChI is InChI=1S/C72H74N4O/c1-47-31-36-63(74-66-40-48(2)61(45-73-66)59-27-20-28-62-67(59)72(11,12)38-37-71(62,9)10)60(39-47)50-32-34-55(35-33-50)77-56-24-18-23-54(44-56)75-46-76(65-30-17-16-29-64(65)75)68-57(49-21-14-13-15-22-49)25-19-26-58(68)51-41-52(69(3,4)5)43-53(42-51)70(6,7)8/h13-36,39-45H,37-38,46H2,1-12H3,(H,73,74)/i1D3,2D3.

What are the key properties of N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine?

N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine has a molecular weight of 1017.45 g/mol, XLogP of 20.09, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-4-(trideuteriomethyl)phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine is sourced from PubChem (CID 177133305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).