2,7-bis[[3-(1-methylbenzimidazol-2-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+))

C52H32N8O2Pt2 — CID 154592394

IUPAC2,7-bis[[3-(1-methylbenzimidazol-2-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+))
SMILESCn1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(-c7nc8ccccc8n7C)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2]
InChIInChI=1S/C52H32N8O2.2Pt/c1-57-43-19-5-3-17-41(43)55-51(57)33-13-11-15-35(29-33)61-37-23-25-39-45(31-37)59(47-21-7-9-27-53-47)50-40-26-24-38(32-46(40)60(49(39)50)48-22-8-10-28-54-48)62-36-16-12-14-34(30-36)52-56-42-18-4-6-20-44(42)58(52)2;;/h3-28H,1-2H3;;/q-4;2*+2
InChIKeyUKUTTWLLMFHOPF-UHFFFAOYSA-N
MW1191.04 g/mol
LogP11.41
Rot. Bonds8

About 2,7-bis[[3-(1-methylbenzimidazol-2-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-methylbenzimidazol-2-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 154592394) has the molecular formula C52H32N8O2Pt2 and a molecular weight of 1191.04 g/mol. Its IUPAC name is 2,7-bis[[3-(1-methylbenzimidazol-2-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-(1-methylbenzimidazol-2-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 CID154592394
Molecular FormulaC52H32N8O2Pt2
Molecular Weight1191.04 g/mol
Exact Mass1190.19
IUPAC Name2,7-bis[[3-(1-methylbenzimidazol-2-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+))
SMILESCn1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(-c7nc8ccccc8n7C)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2]
InChIInChI=1S/C52H32N8O2.2Pt/c1-57-43-19-5-3-17-41(43)55-51(57)33-13-11-15-35(29-33)61-37-23-25-39-45(31-37)59(47-21-7-9-27-53-47)50-40-26-24-38(32-46(40)60(49(39)50)48-22-8-10-28-54-48)62-36-16-12-14-34(30-36)52-56-42-18-4-6-20-44(42)58(52)2;;/h3-28H,1-2H3;;/q-4;2*+2
InChIKeyUKUTTWLLMFHOPF-UHFFFAOYSA-N
XLogP11.41
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001191.04
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[3-(1-methylbenzimidazol-2-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-methylbenzimidazol-2-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 154592394) is 2,7-bis[[3-(1-methylbenzimidazol-2-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-methylbenzimidazol-2-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-methylbenzimidazol-2-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 Cn1c(-c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(-c7nc8ccccc8n7C)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)nc2ccccc21.[Pt+2].[Pt+2].
What is the InChIKey of 2,7-bis[[3-(1-methylbenzimidazol-2-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 UKUTTWLLMFHOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N8O2.2Pt/c1-57-43-19-5-3-17-41(43)55-51(57)33-13-11-15-35(29-33)61-37-23-25-39-45(31-37)59(47-21-7-9-27-53-47)50-40-26-24-38(32-46(40)60(49(39)50)48-22-8-10-28-54-48)62-36-16-12-14-34(30-36)52-56-42-18-4-6-20-44(42)58(52)2;;/h3-28H,1-2H3;;/q-4;2*+2.
What are the key properties of 2,7-bis[[3-(1-methylbenzimidazol-2-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-methylbenzimidazol-2-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 1191.04 g/mol, XLogP of 11.41, 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-methylbenzimidazol-2-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 154592394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).