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

C70H68N4O — CID 177276202

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

9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole (PubChem CID 177276202) has the molecular formula C70H68N4O and a molecular weight of 989.39 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole
• PubChem CID: 177276202
• Molecular Formula: C70H68N4O
• Molecular Weight: 989.39 g/mol
• Exact Mass: 988.59
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole
• SMILES: [2H]c1c([2H])c(-c2ccccc2)c([2H])c(-c2cc(C(C)(C)C)cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2CN(c3cccc(Oc4ccc5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c1[2H]
• InChI: InChI=1S/C70H68N4O/c1-67(2,3)50-34-37-71-65(42-50)74-61-27-15-14-26-55(61)56-32-31-54(44-64(56)74)75-53-25-19-24-52(43-53)72-45-73(63-29-17-16-28-62(63)72)66-57(48-23-18-22-47(38-48)46-20-12-11-13-21-46)40-51(68(4,5)6)41-58(66)49-30-33-59-60(39-49)70(9,10)36-35-69(59,7)8/h11-34,37-44H,35-36,45H2,1-10H3/i14D,15D,18D,22D,23D,26D,27D,38D
• InChIKey: IGMVZXSBWKRYDE-HQLCSZJLSA-N
• XLogP: 19.16
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.39
LogP ≤ 5	19.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole (CID 177276202) is 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole is [2H]c1c([2H])c(-c2ccccc2)c([2H])c(-c2cc(C(C)(C)C)cc(-c3ccc4c(c3)C(C)(C)CCC4(C)C)c2N2CN(c3cccc(Oc4ccc5c6c([2H])c([2H])c([2H])c([2H])c6n(-c6cc(C(C)(C)C)ccn6)c5c4)c3)c3ccccc32)c1[2H].

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

The InChIKey is IGMVZXSBWKRYDE-HQLCSZJLSA-N. The full InChI is InChI=1S/C70H68N4O/c1-67(2,3)50-34-37-71-65(42-50)74-61-27-15-14-26-55(61)56-32-31-54(44-64(56)74)75-53-25-19-24-52(43-53)72-45-73(63-29-17-16-28-62(63)72)66-57(48-23-18-22-47(38-48)46-20-12-11-13-21-46)40-51(68(4,5)6)41-58(66)49-30-33-59-60(39-49)70(9,10)36-35-69(59,7)8/h11-34,37-44H,35-36,45H2,1-10H3/i14D,15D,18D,22D,23D,26D,27D,38D.

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

9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole has a molecular weight of 989.39 g/mol, XLogP of 19.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-7-[3-[3-[4-tert-butyl-2-(2,3,4,6-tetradeuterio-5-phenylphenyl)-6-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]-1,2,3,4-tetradeuteriocarbazole is sourced from PubChem (CID 177276202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).