2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))

C52H44N8O2Pt2 — CID 154592386

IUPAC2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
SMILESCn1ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2c(c4ccc(Oc5[c-]c(-c6nccn6C)cc(C(C)(C)C)c5)[c-]c4n2-c2ccccn2)n3-c2ccccn2)cc(C(C)(C)C)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C52H44N8O2.2Pt/c1-51(2,3)35-25-33(49-55-21-23-57(49)7)27-39(29-35)61-37-15-17-41-43(31-37)59(45-13-9-11-19-53-45)48-42-18-16-38(32-44(42)60(47(41)48)46-14-10-12-20-54-46)62-40-28-34(50-56-22-24-58(50)8)26-36(30-40)52(4,5)6;;/h9-26,29-30H,1-8H3;;/q-4;2*+2
InChIKeyXFZXQBGARMFLAU-UHFFFAOYSA-N
MW1203.13 g/mol
LogP11.69
Rot. Bonds8

About 2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (PubChem CID 154592386) has the molecular formula C52H44N8O2Pt2 and a molecular weight of 1203.13 g/mol. Its IUPAC name is 2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
PubChem CID154592386
Molecular FormulaC52H44N8O2Pt2
Molecular Weight1203.13 g/mol
Exact Mass1202.29
IUPAC Name2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+))
SMILESCn1ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2c(c4ccc(Oc5[c-]c(-c6nccn6C)cc(C(C)(C)C)c5)[c-]c4n2-c2ccccn2)n3-c2ccccn2)cc(C(C)(C)C)c1.[Pt+2].[Pt+2]
InChIInChI=1S/C52H44N8O2.2Pt/c1-51(2,3)35-25-33(49-55-21-23-57(49)7)27-39(29-35)61-37-15-17-41-43(31-37)59(45-13-9-11-19-53-45)48-42-18-16-38(32-44(42)60(47(41)48)46-14-10-12-20-54-46)62-40-28-34(50-56-22-24-58(50)8)26-36(30-40)52(4,5)6;;/h9-26,29-30H,1-8H3;;/q-4;2*+2
InChIKeyXFZXQBGARMFLAU-UHFFFAOYSA-N
XLogP11.69
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.13
LogP ≤ 511.69
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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) (CID 154592386) is 2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-id-1-yl]oxy]-5,10-dipyridin-2-yl-1,6-dihydroindolo[3,2-b]indole-1,6-diide;bis(platinum(2+)) is Cn1ccnc1-c1[c-]c(Oc2[c-]c3c(cc2)c2c(c4ccc(Oc5[c-]c(-c6nccn6C)cc(C(C)(C)C)c5)[c-]c4n2-c2ccccn2)n3-c2ccccn2)cc(C(C)(C)C)c1.[Pt+2].[Pt+2].
What is the InChIKey of 2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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 XFZXQBGARMFLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H44N8O2.2Pt/c1-51(2,3)35-25-33(49-55-21-23-57(49)7)27-39(29-35)61-37-15-17-41-43(31-37)59(45-13-9-11-19-53-45)48-42-18-16-38(32-44(42)60(47(41)48)46-14-10-12-20-54-46)62-40-28-34(50-56-22-24-58(50)8)26-36(30-40)52(4,5)6;;/h9-26,29-30H,1-8H3;;/q-4;2*+2.
What are the key properties of 2,7-bis[[3-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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 1203.13 g/mol, XLogP of 11.69, 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-tert-butyl-5-(1-methylimidazol-2-yl)benzene-6-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 154592386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).