10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium

C52H50N5OPd-3 — CID 169031411

About 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium

10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium (PubChem CID 169031411) has the molecular formula C52H50N5OPd-3 and a molecular weight of 867.43 g/mol. Its IUPAC name is 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium.

Molecular Properties

• Compound Name: 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium
• PubChem CID: 169031411
• Molecular Formula: C52H50N5OPd-3
• Molecular Weight: 867.43 g/mol
• Exact Mass: 866.31
• IUPAC Name: 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium
• SMILES: CC(C)(C)c1cc(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4c(c6ccccc6n4-c4ccccc4)n5-c4cc(C(C)(C)C)ccn4)ccc3)[CH-]2)cc(C(C)(C)C)c1.[Pd]
• InChI: InChI=1S/C52H50N5O.Pd/c1-50(2,3)35-24-25-53-47(31-35)57-46-33-42(22-23-44(46)48-49(57)43-20-13-14-21-45(43)56(48)38-16-11-10-12-17-38)58-41-19-15-18-39(32-41)54-26-27-55(34-54)40-29-36(51(4,5)6)28-37(30-40)52(7,8)9;/h10-31,34H,1-9H3;/q-3
• InChIKey: CUBVQNRTILOTRI-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	867.43
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium?

The IUPAC name of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium (CID 169031411) is 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium.

What is the SMILES notation for 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium?

The canonical SMILES for 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium is CC(C)(C)c1cc(N2C=CN(c3[c-]c(Oc4[c-]c5c(cc4)c4c(c6ccccc6n4-c4ccccc4)n5-c4cc(C(C)(C)C)ccn4)ccc3)[CH-]2)cc(C(C)(C)C)c1.[Pd].

What is the InChIKey of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium?

The InChIKey is CUBVQNRTILOTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50N5O.Pd/c1-50(2,3)35-24-25-53-47(31-35)57-46-33-42(22-23-44(46)48-49(57)43-20-13-14-21-45(43)56(48)38-16-11-10-12-17-38)58-41-19-15-18-39(32-41)54-26-27-55(34-54)40-29-36(51(4,5)6)28-37(30-40)52(7,8)9;/h10-31,34H,1-9H3;/q-3;.

What are the key properties of 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium?

10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium has a molecular weight of 867.43 g/mol, XLogP of 13.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4-tert-butyl-2-pyridinyl)-2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium is sourced from PubChem (CID 169031411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).