2-[3-tert-butyl-5-[3-(2-tert-butylphenyl)-2H-imidazol-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

C57H52N5OPd-3 — CID 169031539

About 2-[3-tert-butyl-5-[3-(2-tert-butylphenyl)-2H-imidazol-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-(2-tert-butylphenyl)-2H-imidazol-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 169031539) has the molecular formula C57H52N5OPd-3 and a molecular weight of 929.50 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(2-tert-butylphenyl)-2H-imidazol-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-(2-tert-butylphenyl)-2H-imidazol-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: 169031539
• Molecular Formula: C57H52N5OPd-3
• Molecular Weight: 929.50 g/mol
• Exact Mass: 928.32
• IUPAC Name: 2-[3-tert-butyl-5-[3-(2-tert-butylphenyl)-2H-imidazol-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(N2C=CN(c3ccccc3C(C)(C)C)[CH-]2)c1.[Pd]
• InChI: InChI=1S/C57H52N5O.Pd/c1-55(2,3)41-33-43(59-31-32-60(38-59)50-26-18-16-24-48(50)56(4,5)6)36-45(34-41)63-44-27-28-47-51(37-44)62(52-35-40(29-30-58-52)57(7,8)39-19-11-9-12-20-39)54-46-23-15-17-25-49(46)61(53(47)54)42-21-13-10-14-22-42;/h9-35,38H,1-8H3;/q-3
• InChIKey: RISDFADRCIDDAO-UHFFFAOYSA-N
• XLogP: 14.35
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.50
LogP ≤ 5	14.35
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-(2-tert-butylphenyl)-2H-imidazol-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-(2-tert-butylphenyl)-2H-imidazol-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 169031539) is 2-[3-tert-butyl-5-[3-(2-tert-butylphenyl)-2H-imidazol-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-(2-tert-butylphenyl)-2H-imidazol-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-(2-tert-butylphenyl)-2H-imidazol-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(N2C=CN(c3ccccc3C(C)(C)C)[CH-]2)c1.[Pd].

What is the InChIKey of 2-[3-tert-butyl-5-[3-(2-tert-butylphenyl)-2H-imidazol-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 RISDFADRCIDDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H52N5O.Pd/c1-55(2,3)41-33-43(59-31-32-60(38-59)50-26-18-16-24-48(50)56(4,5)6)36-45(34-41)63-44-27-28-47-51(37-44)62(52-35-40(29-30-58-52)57(7,8)39-19-11-9-12-20-39)54-46-23-15-17-25-49(46)61(53(47)54)42-21-13-10-14-22-42;/h9-35,38H,1-8H3;/q-3;.

What are the key properties of 2-[3-tert-butyl-5-[3-(2-tert-butylphenyl)-2H-imidazol-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-(2-tert-butylphenyl)-2H-imidazol-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 929.50 g/mol, XLogP of 14.35, 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-(2-tert-butylphenyl)-2H-imidazol-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 169031539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).