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

C42H28N10O2Pt2-6 — CID 154592382

IUPAC2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(N7C=CN(C)[CH-]7)cnc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)cnc2)[CH-]1.[Pt].[Pt]
InChIInChI=1S/C42H28N10O2.2Pt/c1-47-15-17-49(27-47)29-19-33(25-43-23-29)53-31-9-11-35-37(21-31)51(39-7-3-5-13-45-39)42-36-12-10-32(22-38(36)52(41(35)42)40-8-4-6-14-46-40)54-34-20-30(24-44-26-34)50-18-16-48(2)28-50;;/h3-18,23-28H,1-2H3;;/q-6;;
InChIKeyDUUOEPPNXRHKRR-UHFFFAOYSA-N
MW1094.91 g/mol
LogP7.77
Rot. Bonds8

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

2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (PubChem CID 154592382) has the molecular formula C42H28N10O2Pt2-6 and a molecular weight of 1094.91 g/mol. Its IUPAC name is 2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum.

Molecular Properties

Compound Name2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
PubChem CID154592382
Molecular FormulaC42H28N10O2Pt2-6
Molecular Weight1094.91 g/mol
Exact Mass1094.17
IUPAC Name2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
SMILESCN1C=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(N7C=CN(C)[CH-]7)cnc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)cnc2)[CH-]1.[Pt].[Pt]
InChIInChI=1S/C42H28N10O2.2Pt/c1-47-15-17-49(27-47)29-19-33(25-43-23-29)53-31-9-11-35-37(21-31)51(39-7-3-5-13-45-39)42-36-12-10-32(22-38(36)52(41(35)42)40-8-4-6-14-46-40)54-34-20-30(24-44-26-34)50-18-16-48(2)28-50;;/h3-18,23-28H,1-2H3;;/q-6;;
InChIKeyDUUOEPPNXRHKRR-UHFFFAOYSA-N
XLogP7.77
TPSA92.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.91
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-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[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (CID 154592382) is 2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-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[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-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[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-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)cnc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)cnc2)[CH-]1.[Pt].[Pt].
What is the InChIKey of 2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?
The InChIKey is DUUOEPPNXRHKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N10O2.2Pt/c1-47-15-17-49(27-47)29-19-33(25-43-23-29)53-31-9-11-35-37(21-31)51(39-7-3-5-13-45-39)42-36-12-10-32(22-38(36)52(41(35)42)40-8-4-6-14-46-40)54-34-20-30(24-44-26-34)50-18-16-48(2)28-50;;/h3-18,23-28H,1-2H3;;/q-6;;.
What are the key properties of 2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?
2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum has a molecular weight of 1094.91 g/mol, XLogP of 7.77, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[[5-(3-methyl-2H-imidazol-2-id-1-yl)-4H-pyridin-4-id-3-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum is sourced from PubChem (CID 154592382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).