2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum

C52H46N8O2Pt2-6 — CID 154592372

About 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum

2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (PubChem CID 154592372) has the molecular formula C52H46N8O2Pt2-6 and a molecular weight of 1205.15 g/mol. Its IUPAC name is 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum.

Molecular Properties

• Compound Name: 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
• PubChem CID: 154592372
• Molecular Formula: C52H46N8O2Pt2-6
• Molecular Weight: 1205.15 g/mol
• Exact Mass: 1204.31
• IUPAC Name: 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
• SMILES: CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(N7C=CN(C)[CH-]7)cc(C(C)(C)C)c6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)cc(C(C)(C)C)c2)[CH-]1.[Pt].[Pt]
• InChI: InChI=1S/C52H46N8O2.2Pt/c1-51(2,3)35-25-37(57-23-21-55(7)33-57)29-41(27-35)61-39-15-17-43-45(31-39)59(47-13-9-11-19-53-47)50-44-18-16-40(32-46(44)60(49(43)50)48-14-10-12-20-54-48)62-42-28-36(52(4,5)6)26-38(30-42)58-24-22-56(8)34-58;;/h9-28,33-34H,1-8H3;;/q-6
• InChIKey: KWIWMCYSINCRJB-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 67.06 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.15
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?

The IUPAC name of 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (CID 154592372) is 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum.

What is the SMILES notation for 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?

The canonical SMILES for 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum is CN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(N7C=CN(C)[CH-]7)cc(C(C)(C)C)c6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)cc(C(C)(C)C)c2)[CH-]1.[Pt].[Pt].

What is the InChIKey of 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?

The InChIKey is KWIWMCYSINCRJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H46N8O2.2Pt/c1-51(2,3)35-25-37(57-23-21-55(7)33-57)29-41(27-35)61-39-15-17-43-45(31-39)59(47-13-9-11-19-53-47)50-44-18-16-40(32-46(44)60(49(43)50)48-14-10-12-20-54-48)62-42-28-36(52(4,5)6)26-38(30-42)58-24-22-56(8)34-58;;/h9-28,33-34H,1-8H3;;/q-6;;.

What are the key properties of 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?

2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum has a molecular weight of 1205.15 g/mol, XLogP of 11.58, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[[3-tert-butyl-5-(3-methyl-2H-imidazol-2-id-1-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum is sourced from PubChem (CID 154592372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).