5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)

C50H44N6O2Pt — CID 154595081

About 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)

5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) (PubChem CID 154595081) has the molecular formula C50H44N6O2Pt and a molecular weight of 956.02 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)
• PubChem CID: 154595081
• Molecular Formula: C50H44N6O2Pt
• Molecular Weight: 956.02 g/mol
• Exact Mass: 955.32
• IUPAC Name: 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)
• SMILES: Cc1cccc2c1nc1n(-c3cc(C(C)(C)C)ccn3)c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)cc5c4oc4ccccc45)ccc3n21.[Pt+2]
• InChI: InChI=1S/C50H44N6O2.Pt/c1-29(2)36-15-12-16-37(30(3)4)46(36)32-27-52-54(28-32)34-24-39-38-14-9-10-18-43(38)58-48(39)44(25-34)57-35-19-20-40-42(26-35)56(45-23-33(21-22-51-45)50(6,7)8)49-53-47-31(5)13-11-17-41(47)55(40)49;/h9-24,27-30H,1-8H3;/q-2;+2
• InChIKey: HNHJNEIPBAZGIT-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 75.31 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	956.02
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

The IUPAC name of 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) (CID 154595081) is 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+).

What is the SMILES notation for 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

The canonical SMILES for 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) is Cc1cccc2c1nc1n(-c3cc(C(C)(C)C)ccn3)c3[c-]c(Oc4[c-]c(-n5cc(-c6c(C(C)C)cccc6C(C)C)cn5)cc5c4oc4ccccc45)ccc3n21.[Pt+2].

What is the InChIKey of 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

The InChIKey is HNHJNEIPBAZGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H44N6O2.Pt/c1-29(2)36-15-12-16-37(30(3)4)46(36)32-27-52-54(28-32)34-24-39-38-14-9-10-18-43(38)58-48(39)44(25-34)57-35-19-20-40-42(26-35)56(45-23-33(21-22-51-45)50(6,7)8)49-53-47-31(5)13-11-17-41(47)55(40)49;/h9-24,27-30H,1-8H3;/q-2;+2.

What are the key properties of 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) has a molecular weight of 956.02 g/mol, XLogP of 12.82, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-2-pyridinyl)-3-[[2-[4-[2,6-di(propan-2-yl)phenyl]pyrazol-1-yl]-3H-dibenzofuran-3-id-4-yl]oxy]-7-methyl-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) is sourced from PubChem (CID 154595081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).