8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)

C34H22N6OPt — CID 153428968

About 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)

8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+) (PubChem CID 153428968) has the molecular formula C34H22N6OPt and a molecular weight of 725.67 g/mol. Its IUPAC name is 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+).

Molecular Properties

• Compound Name: 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)
• PubChem CID: 153428968
• Molecular Formula: C34H22N6OPt
• Molecular Weight: 725.67 g/mol
• Exact Mass: 725.15
• IUPAC Name: 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)
• SMILES: Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)c4cnccc4c3)cc3ccncc23)nc2ccccc21.[Pt+2]
• InChI: InChI=1S/C34H22N6O.Pt/c1-39-31-9-5-3-7-29(31)37-33(39)25-17-23(15-21-11-13-35-19-27(21)25)41-24-16-22-12-14-36-20-28(22)26(18-24)34-38-30-8-4-6-10-32(30)40(34)2;/h3-16,19-20H,1-2H3;/q-2;+2
• InChIKey: FSUUTFNNCHVTNE-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 70.65 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	725.67
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)?

The IUPAC name of 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+) (CID 153428968) is 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+).

What is the SMILES notation for 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)?

The canonical SMILES for 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+) is Cn1c(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4C)c4cnccc4c3)cc3ccncc23)nc2ccccc21.[Pt+2].

What is the InChIKey of 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)?

The InChIKey is FSUUTFNNCHVTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22N6O.Pt/c1-39-31-9-5-3-7-29(31)37-33(39)25-17-23(15-21-11-13-35-19-27(21)25)41-24-16-22-12-14-36-20-28(22)26(18-24)34-38-30-8-4-6-10-32(30)40(34)2;/h3-16,19-20H,1-2H3;/q-2;+2.

What are the key properties of 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+)?

8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+) has a molecular weight of 725.67 g/mol, XLogP of 7.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-methylbenzimidazol-2-yl)-6-[[8-(1-methylbenzimidazol-2-yl)-7H-isoquinolin-7-id-6-yl]oxy]-7H-isoquinolin-7-ide;platinum(2+) is sourced from PubChem (CID 153428968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).