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

C61H52N5OPd-3 — CID 169031567

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

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium (PubChem CID 169031567) has the molecular formula C61H52N5OPd-3 and a molecular weight of 977.54 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium
• PubChem CID: 169031567
• Molecular Formula: C61H52N5OPd-3
• Molecular Weight: 977.54 g/mol
• Exact Mass: 976.32
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)[CH-]5)ccc4)ccc3c3c2c2ccccc2n3-c2ccccc2)ncc1-c1ccc(-c2ccccc2)cc1.[Pd]
• InChI: InChI=1S/C61H52N5O.Pd/c1-41-33-57(62-39-54(41)44-27-25-43(26-28-44)42-17-10-8-11-18-42)66-56-38-51(29-30-53(56)58-59(66)52-23-14-15-24-55(52)65(58)47-19-12-9-13-20-47)67-50-22-16-21-48(37-50)63-31-32-64(40-63)49-35-45(60(2,3)4)34-46(36-49)61(5,6)7;/h8-36,39-40H,1-7H3;/q-3
• InChIKey: ARUZCBPVJRAKTP-UHFFFAOYSA-N
• XLogP: 15.67
• 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	977.54
LogP ≤ 5	15.67
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-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium?

The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium (CID 169031567) is 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium.

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

The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5C=CN(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)[CH-]5)ccc4)ccc3c3c2c2ccccc2n3-c2ccccc2)ncc1-c1ccc(-c2ccccc2)cc1.[Pd].

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

The InChIKey is ARUZCBPVJRAKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H52N5O.Pd/c1-41-33-57(62-39-54(41)44-27-25-43(26-28-44)42-17-10-8-11-18-42)66-56-38-51(29-30-53(56)58-59(66)52-23-14-15-24-55(52)65(58)47-19-12-9-13-20-47)67-50-22-16-21-48(37-50)63-31-32-64(40-63)49-35-45(60(2,3)4)34-46(36-49)61(5,6)7;/h8-36,39-40H,1-7H3;/q-3;.

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

2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium has a molecular weight of 977.54 g/mol, XLogP of 15.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-ditert-butylphenyl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]-5-phenyl-1H-indolo[3,2-b]indol-1-ide;palladium is sourced from PubChem (CID 169031567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).