9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

C74H62N4O2 — CID 170671606

About 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole

9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 170671606) has the molecular formula C74H62N4O2 and a molecular weight of 1044.37 g/mol. Its IUPAC name is 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 170671606
• Molecular Formula: C74H62N4O2
• Molecular Weight: 1044.37 g/mol
• Exact Mass: 1043.52
• IUPAC Name: 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2Oc2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)c2)c([2H])c1[2H]
• InChI: InChI=1S/C74H62N4O2/c1-73(2,3)54-38-36-53(37-39-54)65-45-55(74(4,5)6)44-64(52-26-14-9-15-27-52)72(65)80-59-42-43-75-70(48-59)78-66-33-17-16-30-62(66)63-41-40-58(47-69(63)78)79-57-29-20-28-56(46-57)76-49-77(68-35-19-18-34-67(68)76)71-60(50-22-10-7-11-23-50)31-21-32-61(71)51-24-12-8-13-25-51/h7-48H,49H2,1-6H3/i9D,14D,15D,26D,27D
• InChIKey: SMZOTWDTQXSABP-YBUGLMGDSA-N
• XLogP: 20.27
• TPSA: 42.76 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1044.37
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The IUPAC name of 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 170671606) is 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole.

What is the SMILES notation for 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The canonical SMILES for 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is [2H]c1c([2H])c([2H])c(-c2cc(C(C)(C)C)cc(-c3ccc(C(C)(C)C)cc3)c2Oc2ccnc(-n3c4ccccc4c4ccc(Oc5cccc(N6CN(c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)c5)cc43)c2)c([2H])c1[2H].

What is the InChIKey of 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

The InChIKey is SMZOTWDTQXSABP-YBUGLMGDSA-N. The full InChI is InChI=1S/C74H62N4O2/c1-73(2,3)54-38-36-53(37-39-54)65-45-55(74(4,5)6)44-64(52-26-14-9-15-27-52)72(65)80-59-42-43-75-70(48-59)78-66-33-17-16-30-62(66)63-41-40-58(47-69(63)78)79-57-29-20-28-56(46-57)76-49-77(68-35-19-18-34-67(68)76)71-60(50-22-10-7-11-23-50)31-21-32-61(71)51-24-12-8-13-25-51/h7-48H,49H2,1-6H3/i9D,14D,15D,26D,27D.

What are the key properties of 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole?

9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 1044.37 g/mol, XLogP of 20.27, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-[4-tert-butyl-2-(4-tert-butylphenyl)-6-(2,3,4,5,6-pentadeuteriophenyl)phenoxy]-2-pyridinyl]-2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 170671606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).