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

C47H34N5OPd-3 — CID 169031457

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

palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide (PubChem CID 169031457) has the molecular formula C47H34N5OPd-3 and a molecular weight of 791.24 g/mol. Its IUPAC name is palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide.

Molecular Properties

• Compound Name: palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide
• PubChem CID: 169031457
• Molecular Formula: C47H34N5OPd-3
• Molecular Weight: 791.24 g/mol
• Exact Mass: 790.18
• IUPAC Name: palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide
• SMILES: CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccccc6)c6ccccc65)ccc4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1.[Pd]
• InChI: InChI=1S/C47H34N5O.Pd/c1-32(2)33-26-27-48-45(28-33)52-44-30-38(24-25-40(44)46-47(52)39-20-9-10-21-41(39)51(46)35-16-7-4-8-17-35)53-37-19-13-18-36(29-37)50-31-49(34-14-5-3-6-15-34)42-22-11-12-23-43(42)50;/h3-28,31-32H,1-2H3;/q-3
• InChIKey: MCZNTMZCPIKNOL-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.24
LogP ≤ 5	12.05
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 palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide?

The IUPAC name of palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide (CID 169031457) is palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide.

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

The canonical SMILES for palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide is CC(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6ccccc6)c6ccccc65)ccc4)ccc3c3c2c2ccccc2n3-c2ccccc2)c1.[Pd].

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

The InChIKey is MCZNTMZCPIKNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N5O.Pd/c1-32(2)33-26-27-48-45(28-33)52-44-30-38(24-25-40(44)46-47(52)39-20-9-10-21-41(39)51(46)35-16-7-4-8-17-35)53-37-19-13-18-36(29-37)50-31-49(34-14-5-3-6-15-34)42-22-11-12-23-43(42)50;/h3-28,31-32H,1-2H3;/q-3;.

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

palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide has a molecular weight of 791.24 g/mol, XLogP of 12.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for palladium;5-phenyl-2-[3-(3-phenyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-10-(4-propan-2-yl-2-pyridinyl)-1H-indolo[3,2-b]indol-1-ide is sourced from PubChem (CID 169031457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).