2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol

C59H62N2O — CID 167355896

About 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol

2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol (PubChem CID 167355896) has the molecular formula C59H62N2O and a molecular weight of 823.21 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol.

Molecular Properties

• Compound Name: 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol
• PubChem CID: 167355896
• Molecular Formula: C59H62N2O
• Molecular Weight: 823.21 g/mol
• Exact Mass: 822.54
• IUPAC Name: 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol
• SMILES: [2H]c1nc(-c2cc(-c3cccc4c3N=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C4c3ccc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H]
• InChI: InChI=1S/C59H62N2O/c1-56(2,3)42-26-27-46(48(34-42)38-22-17-14-18-23-38)52-47-25-19-24-45(53(47)61-54(52)49-35-44(58(7,8)9)36-50(55(49)62)59(10,11)12)40-30-41(32-43(31-40)57(4,5)6)51-33-39(28-29-60-51)37-20-15-13-16-21-37/h13-36,52,62H,1-12H3/i13D,15D,16D,20D,21D,28D,29D,33D
• InChIKey: SCYOHXUHSZZXBU-AHGDYOFCSA-N
• XLogP: 15.91
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	823.21
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol?

The IUPAC name of 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol (CID 167355896) is 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol.

What is the SMILES notation for 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol?

The canonical SMILES for 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol is [2H]c1nc(-c2cc(-c3cccc4c3N=C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3O)C4c3ccc(C(C)(C)C)cc3-c3ccccc3)cc(C(C)(C)C)c2)c([2H])c(-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c1[2H].

What is the InChIKey of 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol?

The InChIKey is SCYOHXUHSZZXBU-AHGDYOFCSA-N. The full InChI is InChI=1S/C59H62N2O/c1-56(2,3)42-26-27-46(48(34-42)38-22-17-14-18-23-38)52-47-25-19-24-45(53(47)61-54(52)49-35-44(58(7,8)9)36-50(55(49)62)59(10,11)12)40-30-41(32-43(31-40)57(4,5)6)51-33-39(28-29-60-51)37-20-15-13-16-21-37/h13-36,52,62H,1-12H3/i13D,15D,16D,20D,21D,28D,29D,33D.

What are the key properties of 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol?

2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol has a molecular weight of 823.21 g/mol, XLogP of 15.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-ditert-butyl-6-[3-(4-tert-butyl-2-phenylphenyl)-7-[3-tert-butyl-5-[3,5,6-trideuterio-4-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]phenyl]-3H-indol-2-yl]phenol is sourced from PubChem (CID 167355896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).