5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)

C44H27F4N5OPt — CID 162503616

About 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)

5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) (PubChem CID 162503616) has the molecular formula C44H27F4N5OPt and a molecular weight of 912.80 g/mol. Its IUPAC name is 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)
• PubChem CID: 162503616
• Molecular Formula: C44H27F4N5OPt
• Molecular Weight: 912.80 g/mol
• Exact Mass: 912.18
• IUPAC Name: 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)
• SMILES: Cc1cnc(-n2c3[c-]c(Oc4[c-]c(-c5cc6ccccc6cn5)cc5c4C(F)(F)C(c4ccccc4)C5(F)F)ccc3n3c4ccccc4nc23)cc1C.[Pt+2]
• InChI: InChI=1S/C44H27F4N5O.Pt/c1-25-18-39(50-23-26(25)2)53-37-22-31(16-17-36(37)52-35-15-9-8-14-33(35)51-42(52)53)54-38-21-30(34-20-28-12-6-7-13-29(28)24-49-34)19-32-40(38)44(47,48)41(43(32,45)46)27-10-4-3-5-11-27;/h3-20,23-24,41H,1-2H3;/q-2;+2
• InChIKey: YBDWWQXFYMBLTI-UHFFFAOYSA-N
• XLogP: 11.03
• TPSA: 57.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.80
LogP ≤ 5	11.03
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 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

The IUPAC name of 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) (CID 162503616) is 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+).

What is the SMILES notation for 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

The canonical SMILES for 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) is Cc1cnc(-n2c3[c-]c(Oc4[c-]c(-c5cc6ccccc6cn5)cc5c4C(F)(F)C(c4ccccc4)C5(F)F)ccc3n3c4ccccc4nc23)cc1C.[Pt+2].

What is the InChIKey of 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

The InChIKey is YBDWWQXFYMBLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27F4N5O.Pt/c1-25-18-39(50-23-26(25)2)53-37-22-31(16-17-36(37)52-35-15-9-8-14-33(35)51-42(52)53)54-38-21-30(34-20-28-12-6-7-13-29(28)24-49-34)19-32-40(38)44(47,48)41(43(32,45)46)27-10-4-3-5-11-27;/h3-20,23-24,41H,1-2H3;/q-2;+2.

What are the key properties of 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+)?

5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) has a molecular weight of 912.80 g/mol, XLogP of 11.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,5-dimethyl-2-pyridinyl)-3-[(1,1,3,3-tetrafluoro-6-isoquinolin-3-yl-2-phenyl-2,5-dihydroinden-5-id-4-yl)oxy]-4H-benzimidazolo[1,2-a]benzimidazol-4-ide;platinum(2+) is sourced from PubChem (CID 162503616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).