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

C75H80N4O — CID 177133296

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

N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine (PubChem CID 177133296) has the molecular formula C75H80N4O and a molecular weight of 1056.51 g/mol. Its IUPAC name is N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine
• PubChem CID: 177133296
• Molecular Formula: C75H80N4O
• Molecular Weight: 1056.51 g/mol
• Exact Mass: 1055.65
• IUPAC Name: N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine
• SMILES: [2H]C([2H])([2H])c1cc(Nc2cc(C(C)(C)C)ccc2-c2ccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)c3)cc2)ncc1-c1cccc2c1C(C)(C)CCC2(C)C
• InChI: InChI=1S/C75H80N4O/c1-49-41-68(76-47-63(49)62-29-22-30-64-69(62)75(13,14)40-39-74(64,11)12)77-65-45-53(71(2,3)4)35-38-59(65)51-33-36-57(37-34-51)80-58-26-20-25-56(46-58)78-48-79(67-32-19-18-31-66(67)78)70-60(50-23-16-15-17-24-50)27-21-28-61(70)52-42-54(72(5,6)7)44-55(43-52)73(8,9)10/h15-38,41-47H,39-40,48H2,1-14H3,(H,76,77)/i1D3
• InChIKey: PZVZFMLXPJNJKW-FIBGUPNXSA-N
• XLogP: 21.08
• TPSA: 40.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1056.51
LogP ≤ 5	21.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine (CID 177133296) is N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine.

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

The canonical SMILES for N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine is [2H]C([2H])([2H])c1cc(Nc2cc(C(C)(C)C)ccc2-c2ccc(Oc3cccc(N4CN(c5c(-c6ccccc6)cccc5-c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c5ccccc54)c3)cc2)ncc1-c1cccc2c1C(C)(C)CCC2(C)C.

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

The InChIKey is PZVZFMLXPJNJKW-FIBGUPNXSA-N. The full InChI is InChI=1S/C75H80N4O/c1-49-41-68(76-47-63(49)62-29-22-30-64-69(62)75(13,14)40-39-74(64,11)12)77-65-45-53(71(2,3)4)35-38-59(65)51-33-36-57(37-34-51)80-58-26-20-25-56(46-58)78-48-79(67-32-19-18-31-66(67)78)70-60(50-23-16-15-17-24-50)27-21-28-61(70)52-42-54(72(5,6)7)44-55(43-52)73(8,9)10/h15-38,41-47H,39-40,48H2,1-14H3,(H,76,77)/i1D3.

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

N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine has a molecular weight of 1056.51 g/mol, XLogP of 21.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-tert-butyl-2-[4-[3-[3-[2-(3,5-ditert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]phenyl]-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-4-(trideuteriomethyl)pyridin-2-amine is sourced from PubChem (CID 177133296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).