7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole

C74H76N4O — CID 177276434

About 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole

7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole (PubChem CID 177276434) has the molecular formula C74H76N4O and a molecular weight of 1066.63 g/mol. Its IUPAC name is 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole.

Molecular Properties

• Compound Name: 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
• PubChem CID: 177276434
• Molecular Formula: C74H76N4O
• Molecular Weight: 1066.63 g/mol
• Exact Mass: 1065.78
• IUPAC Name: 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4cc(Oc5cccc(N6CN(c7c(-c8ccc9c(c8)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C9(C([2H])([2H])[2H])C([2H])([2H])[2H])cc(C(C)(C)C)cc7-c7c([2H])c([2H])c(C(C)(C)C)c([2H])c7[2H])c7ccccc76)c5)ccc4c4c([2H])c([2H])c([2H])c([2H])c43)cc2C(C)(C)C)c([2H])c1[2H]
• InChI: InChI=1S/C74H76N4O/c1-70(2,3)51-33-30-49(31-34-51)58-41-52(71(4,5)6)42-59(50-32-37-61-63(40-50)74(12,13)39-38-73(61,10)11)69(58)77-47-76(65-28-19-20-29-66(65)77)53-24-21-25-54(43-53)79-55-35-36-57-56-26-17-18-27-64(56)78(67(57)44-55)68-45-62(72(7,8)9)60(46-75-68)48-22-15-14-16-23-48/h14-37,40-46H,38-39,47H2,1-13H3/i10D3,11D3,12D3,13D3,14D,15D,16D,17D,18D,22D,23D,26D,27D,30D,31D,33D,34D,38D2,39D2
• InChIKey: RWXREQLRRNYFIN-XQTZIMPKSA-N
• XLogP: 20.46
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1066.63
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole (CID 177276434) is 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole.

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

The canonical SMILES for 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole is [2H]c1c([2H])c([2H])c(-c2cnc(-n3c4cc(Oc5cccc(N6CN(c7c(-c8ccc9c(c8)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])C9(C([2H])([2H])[2H])C([2H])([2H])[2H])cc(C(C)(C)C)cc7-c7c([2H])c([2H])c(C(C)(C)C)c([2H])c7[2H])c7ccccc76)c5)ccc4c4c([2H])c([2H])c([2H])c([2H])c43)cc2C(C)(C)C)c([2H])c1[2H].

What is the InChIKey of 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole?

The InChIKey is RWXREQLRRNYFIN-XQTZIMPKSA-N. The full InChI is InChI=1S/C74H76N4O/c1-70(2,3)51-33-30-49(31-34-51)58-41-52(71(4,5)6)42-59(50-32-37-61-63(40-50)74(12,13)39-38-73(61,10)11)69(58)77-47-76(65-28-19-20-29-66(65)77)53-24-21-25-54(43-53)79-55-35-36-57-56-26-17-18-27-64(56)78(67(57)44-55)68-45-62(72(7,8)9)60(46-75-68)48-22-15-14-16-23-48/h14-37,40-46H,38-39,47H2,1-13H3/i10D3,11D3,12D3,13D3,14D,15D,16D,17D,18D,22D,23D,26D,27D,30D,31D,33D,34D,38D2,39D2.

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

7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole has a molecular weight of 1066.63 g/mol, XLogP of 20.46, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[3-[4-tert-butyl-2-(4-tert-butyl-2,3,5,6-tetradeuteriophenyl)-6-[6,6,7,7-tetradeuterio-5,5,8,8-tetrakis(trideuteriomethyl)naphthalen-2-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]-9-[4-tert-butyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]-1,2,3,4-tetradeuteriocarbazole is sourced from PubChem (CID 177276434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).