2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium

C61H54N5OPd-3 — CID 169031388

About 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium (PubChem CID 169031388) has the molecular formula C61H54N5OPd-3 and a molecular weight of 979.56 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium
• PubChem CID: 169031388
• Molecular Formula: C61H54N5OPd-3
• Molecular Weight: 979.56 g/mol
• Exact Mass: 978.34
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2c(c4ccccc4n2-c2ccccc2)n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccccc32)c1.[Pd]
• InChI: InChI=1S/C61H54N5O.Pd/c1-59(2,3)42-22-19-25-46(34-42)63-40-64(54-29-18-17-28-53(54)63)47-35-44(60(4,5)6)36-49(38-47)67-48-30-31-51-55(39-48)66(56-37-43(32-33-62-56)61(7,8)41-20-11-9-12-21-41)58-50-26-15-16-27-52(50)65(57(51)58)45-23-13-10-14-24-45;/h9-37,40H,1-8H3;/q-3
• InChIKey: DFILNJUTNWAEDW-UHFFFAOYSA-N
• XLogP: 15.84
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	979.56
LogP ≤ 5	15.84
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 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium (CID 169031388) is 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium.

What is the SMILES notation for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium?

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2c(c4ccccc4n2-c2ccccc2)n3-c2cc(C(C)(C)c3ccccc3)ccn2)[c-]c(N2[CH-]N(c3cccc(C(C)(C)C)c3)c3ccccc32)c1.[Pd].

What is the InChIKey of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium?

The InChIKey is DFILNJUTNWAEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H54N5O.Pd/c1-59(2,3)42-22-19-25-46(34-42)63-40-64(54-29-18-17-28-53(54)63)47-35-44(60(4,5)6)36-49(38-47)67-48-30-31-51-55(39-48)66(56-37-43(32-33-62-56)61(7,8)41-20-11-9-12-21-41)58-50-26-15-16-27-52(50)65(57(51)58)45-23-13-10-14-24-45;/h9-37,40H,1-8H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium?

2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium has a molecular weight of 979.56 g/mol, XLogP of 15.84, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-6-id-1-yl]oxy-5-phenyl-10-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-indolo[3,2-b]indol-1-ide;palladium is sourced from PubChem (CID 169031388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).