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

C74H76N4O — CID 176756820

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

9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (PubChem CID 176756820) has the molecular formula C74H76N4O and a molecular weight of 1046.50 g/mol. Its IUPAC name is 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

Molecular Properties

• Compound Name: 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• PubChem CID: 176756820
• Molecular Formula: C74H76N4O
• Molecular Weight: 1046.50 g/mol
• Exact Mass: 1045.66
• IUPAC Name: 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole
• SMILES: [2H]c1c([2H])c(-c2cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)CCC4(C)C)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C([2H])([2H])C(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c([2H])c1-c1ccc(C(C)(C)C)cc1C(C)(C)C
• InChI: InChI=1S/C74H76N4O/c1-48(2)41-49-37-40-75-69(42-49)78-65-24-14-13-21-60(65)61-35-33-56(46-68(61)78)79-55-20-17-19-54(45-55)76-47-77(67-26-16-15-25-66(67)76)70-58(22-18-23-59(70)52-31-36-62-64(43-52)74(11,12)39-38-73(62,9)10)51-29-27-50(28-30-51)57-34-32-53(71(3,4)5)44-63(57)72(6,7)8/h13-37,40,42-46,48H,38-39,41,47H2,1-12H3/i27D,28D,29D,30D,31D,36D,41D2,43D
• InChIKey: JPZWMTBPQGJGMI-YTVZBVJGSA-N
• XLogP: 20.36
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.50
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 176756820) is 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole.

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

The canonical SMILES for 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is [2H]c1c([2H])c(-c2cccc(-c3c([2H])c([2H])c4c(c3[2H])C(C)(C)CCC4(C)C)c2N2CN(c3cccc(Oc4ccc5c6ccccc6n(-c6cc(C([2H])([2H])C(C)C)ccn6)c5c4)c3)c3ccccc32)c([2H])c([2H])c1-c1ccc(C(C)(C)C)cc1C(C)(C)C.

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

The InChIKey is JPZWMTBPQGJGMI-YTVZBVJGSA-N. The full InChI is InChI=1S/C74H76N4O/c1-48(2)41-49-37-40-75-69(42-49)78-65-24-14-13-21-60(65)61-35-33-56(46-68(61)78)79-55-20-17-19-54(45-55)76-47-77(67-26-16-15-25-66(67)76)70-58(22-18-23-59(70)52-31-36-62-64(43-52)74(11,12)39-38-73(62,9)10)51-29-27-50(28-30-51)57-34-32-53(71(3,4)5)44-63(57)72(6,7)8/h13-37,40,42-46,48H,38-39,41,47H2,1-12H3/i27D,28D,29D,30D,31D,36D,41D2,43D.

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

9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole has a molecular weight of 1046.50 g/mol, XLogP of 20.36, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-2-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butylphenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole is sourced from PubChem (CID 176756820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).