5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)

C44H48B2N6OPt+2 — CID 166501358

About 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)

5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+) (PubChem CID 166501358) has the molecular formula C44H48B2N6OPt+2 and a molecular weight of 893.61 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+).

Molecular Properties

• Compound Name: 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)
• PubChem CID: 166501358
• Molecular Formula: C44H48B2N6OPt+2
• Molecular Weight: 893.61 g/mol
• Exact Mass: 893.37
• IUPAC Name: 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)
• SMILES: CC(C)c1cccc(C(C)C)c1B1N(C)c2ccc(Oc3[c-]c4c(cc3)N(C)B(c3c(C(C)C)cccc3C(C)C)[n+]3cc[c-]n3-4)[c-]c2-n2[c-]cc[n+]21.[Pt+4]
• InChI: InChI=1S/C44H48B2N6O.Pt/c1-29(2)35-15-11-16-36(30(3)4)43(35)45-47(9)39-21-19-33(27-41(39)49-23-13-25-51(45)49)53-34-20-22-40-42(28-34)50-24-14-26-52(50)46(48(40)10)44-37(31(5)6)17-12-18-38(44)32(7)8;/h11-22,25-26,29-32H,1-10H3;/q-2;+4
• InChIKey: YJHZKZFBLYMUDP-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 33.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	893.61
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)?

The IUPAC name of 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+) (CID 166501358) is 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+).

What is the SMILES notation for 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)?

The canonical SMILES for 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+) is CC(C)c1cccc(C(C)C)c1B1N(C)c2ccc(Oc3[c-]c4c(cc3)N(C)B(c3c(C(C)C)cccc3C(C)C)[n+]3cc[c-]n3-4)[c-]c2-n2[c-]cc[n+]21.[Pt+4].

What is the InChIKey of 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)?

The InChIKey is YJHZKZFBLYMUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H48B2N6O.Pt/c1-29(2)35-15-11-16-36(30(3)4)43(35)45-47(9)39-21-19-33(27-41(39)49-23-13-25-51(45)49)53-34-20-22-40-42(28-34)50-24-14-26-52(50)46(48(40)10)44-37(31(5)6)17-12-18-38(44)32(7)8;/h11-22,25-26,29-32H,1-10H3;/q-2;+4.

What are the key properties of 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+)?

5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+) has a molecular weight of 893.61 g/mol, XLogP of 6.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,6-di(propan-2-yl)phenyl]-9-[[5-[2,6-di(propan-2-yl)phenyl]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diid-9-yl]oxy]-6-methyl-1,10-dihydropyrazolo[1,2-a][1,2,4,3]benzotriazaborinin-4-ium-1,10-diide;platinum(4+) is sourced from PubChem (CID 166501358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).