2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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+))

C44H28N8O2Pt2+4 — CID 154592364

IUPAC2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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+))
SMILESC[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c([N+]7=C=[N+](C)C=C7)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)C=C1.[Pt+2].[Pt+2]
InChIInChI=1S/C44H28N8O2.2Pt/c1-47-21-23-49(29-47)31-9-7-11-33(25-31)53-35-15-17-37-39(27-35)51(41-13-3-5-19-45-41)44-38-18-16-36(28-40(38)52(43(37)44)42-14-4-6-20-46-42)54-34-12-8-10-32(26-34)50-24-22-48(2)30-50;;/h3-24H,1-2H3;;/q;2*+2
InChIKeySJHLWEOHQLULKH-UHFFFAOYSA-N
MW1090.92 g/mol
LogP8.19
Rot. Bonds8

About 2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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-(3-methylimidazole-1,3-diium-1-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 154592364) has the molecular formula C44H28N8O2Pt2+4 and a molecular weight of 1090.92 g/mol. Its IUPAC name is 2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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 Name2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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 CID154592364
Molecular FormulaC44H28N8O2Pt2+4
Molecular Weight1090.92 g/mol
Exact Mass1090.16
IUPAC Name2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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+))
SMILESC[N+]1=C=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c([N+]7=C=[N+](C)C=C7)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)C=C1.[Pt+2].[Pt+2]
InChIInChI=1S/C44H28N8O2.2Pt/c1-47-21-23-49(29-47)31-9-7-11-33(25-31)53-35-15-17-37-39(27-35)51(41-13-3-5-19-45-41)44-38-18-16-36(28-40(38)52(43(37)44)42-14-4-6-20-46-42)54-34-12-8-10-32(26-34)50-24-22-48(2)30-50;;/h3-24H,1-2H3;;/q;2*+2
InChIKeySJHLWEOHQLULKH-UHFFFAOYSA-N
XLogP8.19
TPSA66.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.92
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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-(3-methylimidazole-1,3-diium-1-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 154592364) is 2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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-(3-methylimidazole-1,3-diium-1-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-(3-methylimidazole-1,3-diium-1-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)C=C7)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)C=C1.[Pt+2].[Pt+2].
What is the InChIKey of 2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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 SJHLWEOHQLULKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N8O2.2Pt/c1-47-21-23-49(29-47)31-9-7-11-33(25-31)53-35-15-17-37-39(27-35)51(41-13-3-5-19-45-41)44-38-18-16-36(28-40(38)52(43(37)44)42-14-4-6-20-46-42)54-34-12-8-10-32(26-34)50-24-22-48(2)30-50;;/h3-24H,1-2H3;;/q;2*+2.
What are the key properties of 2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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-(3-methylimidazole-1,3-diium-1-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 1090.92 g/mol, XLogP of 8.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[3-(3-methylimidazole-1,3-diium-1-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 154592364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).