2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum

C48H30N12O2Pt2-6 — CID 154592458

About 2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum

2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (PubChem CID 154592458) has the molecular formula C48H30N12O2Pt2-6 and a molecular weight of 1197.01 g/mol. Its IUPAC name is 2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-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-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
• PubChem CID: 154592458
• Molecular Formula: C48H30N12O2Pt2-6
• Molecular Weight: 1197.01 g/mol
• Exact Mass: 1196.19
• IUPAC Name: 2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(N7[CH-]N(C)c8nccnc87)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)c2nccnc21.[Pt].[Pt]
• InChI: InChI=1S/C48H30N12O2.2Pt/c1-55-29-57(47-45(55)51-21-23-53-47)31-9-7-11-33(25-31)61-35-15-17-37-39(27-35)59(41-13-3-5-19-49-41)44-38-18-16-36(28-40(38)60(43(37)44)42-14-4-6-20-50-42)62-34-12-8-10-32(26-34)58-30-56(2)46-48(58)54-24-22-52-46;;/h3-24,29-30H,1-2H3;;/q-6
• InChIKey: YTMPQIRTKRPXIQ-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 118.62 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1197.01
LogP ≤ 5	9.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-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-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (CID 154592458) is 2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-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-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-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-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(N7[CH-]N(C)c8nccnc87)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)c2nccnc21.[Pt].[Pt].

What is the InChIKey of 2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?

The InChIKey is YTMPQIRTKRPXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N12O2.2Pt/c1-55-29-57(47-45(55)51-21-23-53-47)31-9-7-11-33(25-31)61-35-15-17-37-39(27-35)59(41-13-3-5-19-49-41)44-38-18-16-36(28-40(38)60(43(37)44)42-14-4-6-20-50-42)62-34-12-8-10-32(26-34)58-30-56(2)46-48(58)54-24-22-52-46;;/h3-24,29-30H,1-2H3;;/q-6;;.

What are the key properties of 2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?

2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-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 1197.01 g/mol, XLogP of 9.29, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-bis[[3-(1-methyl-2H-imidazo[4,5-b]pyrazin-2-id-3-yl)benzene-2-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 154592458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).