1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 176756727

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

1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 176756727) has the molecular formula C74H76N4O and a molecular weight of 1053.55 g/mol. Its IUPAC name is 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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: 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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: 176756727
• Molecular Formula: C74H76N4O
• Molecular Weight: 1053.55 g/mol
• Exact Mass: 1052.70
• IUPAC Name: 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2C(C)(C)C)c([2H])c([2H])c1-c1cccc(-c2c([2H])c([2H])c3c(c2[2H])C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5c([2H])c([2H])c([2H])c([2H])c5n(-c5cc(C([2H])([2H])C(C)C)ccn5)c4c3)c2)c2ccccc21
• 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/i13D,14D,21D,24D,27D,28D,29D,30D,31D,32D,34D,36D,41D2,43D,44D
• InChIKey: JPZWMTBPQGJGMI-WHTDDNTASA-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	1053.55
LogP ≤ 5	20.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)phenyl]-6-(1,3,4-trideuterio-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-2H-benzimidazol-1-yl]phenoxy]carbazole (CID 176756727) is 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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(-c2c([2H])c([2H])c(C(C)(C)C)c([2H])c2C(C)(C)C)c([2H])c([2H])c1-c1cccc(-c2c([2H])c([2H])c3c(c2[2H])C(C)(C)CCC3(C)C)c1N1CN(c2cccc(Oc3ccc4c5c([2H])c([2H])c([2H])c([2H])c5n(-c5cc(C([2H])([2H])C(C)C)ccn5)c4c3)c2)c2ccccc21.

What is the InChIKey of 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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-WHTDDNTASA-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/i13D,14D,21D,24D,27D,28D,29D,30D,31D,32D,34D,36D,41D2,43D,44D.

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

1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 1053.55 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 1,2,3,4-tetradeuterio-9-[4-(1,1-dideuterio-2-methylpropyl)-2-pyridinyl]-7-[3-[3-[2-[2,3,5,6-tetradeuterio-4-(2,4-ditert-butyl-3,5,6-trideuteriophenyl)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 176756727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).