7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole

C68H72N4O — CID 176756884

About 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole

7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole (PubChem CID 176756884) has the molecular formula C68H72N4O and a molecular weight of 976.44 g/mol. Its IUPAC name is 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole.

Molecular Properties

• Compound Name: 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole
• PubChem CID: 176756884
• Molecular Formula: C68H72N4O
• Molecular Weight: 976.44 g/mol
• Exact Mass: 975.66
• IUPAC Name: 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole
• SMILES: [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3c([2H])c(C(C)(C)C)c([2H])c(C([2H])([2H])C([2H])(C)C)c3[2H])c1N1CN(c3cccc(Oc4ccc5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cc(C([2H])([2H])C(C)C)ccn6)c5c4)c3)c3ccccc31)C(C)(C)CCC2(C)C
• InChI: InChI=1S/C68H72N4O/c1-44(2)34-46-30-33-69-64(38-46)72-60-23-13-12-20-56(60)57-28-27-53(42-63(57)72)73-52-19-16-18-51(41-52)70-43-71(62-25-15-14-24-61(62)70)65-54(48-26-29-58-59(40-48)68(10,11)32-31-67(58,8)9)21-17-22-55(65)49-36-47(35-45(3)4)37-50(39-49)66(5,6)7/h12-30,33,36-42,44-45H,31-32,34-35,43H2,1-11H3/i12D,13D,20D,23D,26D,29D,34D2,35D2,36D,37D,39D,40D,45D
• InChIKey: BMAMNAKPWGTTSQ-DCFAQRLBSA-N
• XLogP: 18.60
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	976.44
LogP ≤ 5	18.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole (CID 176756884) is 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole.

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

The canonical SMILES for 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole is [2H]c1c([2H])c2c(c([2H])c1-c1cccc(-c3c([2H])c(C(C)(C)C)c([2H])c(C([2H])([2H])C([2H])(C)C)c3[2H])c1N1CN(c3cccc(Oc4ccc5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cc(C([2H])([2H])C(C)C)ccn6)c5c4)c3)c3ccccc31)C(C)(C)CCC2(C)C.

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

The InChIKey is BMAMNAKPWGTTSQ-DCFAQRLBSA-N. The full InChI is InChI=1S/C68H72N4O/c1-44(2)34-46-30-33-69-64(38-46)72-60-23-13-12-20-56(60)57-28-27-53(42-63(57)72)73-52-19-16-18-51(41-52)70-43-71(62-25-15-14-24-61(62)70)65-54(48-26-29-58-59(40-48)68(10,11)32-31-67(58,8)9)21-17-22-55(65)49-36-47(35-45(3)4)37-50(39-49)66(5,6)7/h12-30,33,36-42,44-45H,31-32,34-35,43H2,1-11H3/i12D,13D,20D,23D,26D,29D,34D2,35D2,36D,37D,39D,40D,45D.

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

7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole has a molecular weight of 976.44 g/mol, XLogP of 18.60, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[3-[2-[3-tert-butyl-2,4,6-trideuterio-5-(1,1,2-trideuterio-2-methylpropyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]carbazole is sourced from PubChem (CID 176756884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).