2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

C48H28N12O2Pt2+4 — CID 154592366

About 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (PubChem CID 154592366) has the molecular formula C48H28N12O2Pt2+4 and a molecular weight of 1194.99 g/mol. Its IUPAC name is 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)).

Molecular Properties

• Compound Name: 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• PubChem CID: 154592366
• Molecular Formula: C48H28N12O2Pt2+4
• Molecular Weight: 1194.99 g/mol
• Exact Mass: 1194.17
• IUPAC Name: 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c([N+]7=C=[N+](C)c8nccnc87)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)c2nccnc21.[Pt+2].[Pt+2]
• InChI: InChI=1S/C48H28N12O2.2Pt/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;;/h3-24H,1-2H3;;/q;2*+2
• InChIKey: RVHKIZKPFQJNBF-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 117.70 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1194.99
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The IUPAC name of 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (CID 154592366) is 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)).

What is the SMILES notation for 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))?

The canonical SMILES for 2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c([N+]7=C=[N+](C)c8nccnc87)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)c2nccnc21.[Pt+2].[Pt+2].

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

The InChIKey is RVHKIZKPFQJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N12O2.2Pt/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;;/h3-24H,1-2H3;;/q;2*+2.

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

2,7-bis[[3-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) has a molecular weight of 1194.99 g/mol, XLogP of 8.47, 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-(1-methylimidazo[4,5-b]pyrazine-1,3-diium-3-yl)benzene-2-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is sourced from PubChem (CID 154592366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).