2,7-bis[[3-(3,5-dimethylpyrazol-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+))

C46H32N8O2Pt2 — CID 154592413

IUPAC2,7-bis[[3-(3,5-dimethylpyrazol-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+))
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(-n7nc(C)cc7C)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)n1.[Pt+2].[Pt+2]
InChIInChI=1S/C46H32N8O2.2Pt/c1-29-23-31(3)53(49-29)33-11-9-13-35(25-33)55-37-17-19-39-41(27-37)51(43-15-5-7-21-47-43)46-40-20-18-38(28-42(40)52(45(39)46)44-16-6-8-22-48-44)56-36-14-10-12-34(26-36)54-32(4)24-30(2)50-54;;/h5-24H,1-4H3;;/q-4;2*+2
InChIKeyWZYSBMHSVXYOAV-UHFFFAOYSA-N
MW1118.97 g/mol
LogP9.90
Rot. Bonds8

About 2,7-bis[[3-(3,5-dimethylpyrazol-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-(3,5-dimethylpyrazol-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 154592413) has the molecular formula C46H32N8O2Pt2 and a molecular weight of 1118.97 g/mol. Its IUPAC name is 2,7-bis[[3-(3,5-dimethylpyrazol-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-(3,5-dimethylpyrazol-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 CID154592413
Molecular FormulaC46H32N8O2Pt2
Molecular Weight1118.97 g/mol
Exact Mass1118.19
IUPAC Name2,7-bis[[3-(3,5-dimethylpyrazol-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+))
SMILESCc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(-n7nc(C)cc7C)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)n1.[Pt+2].[Pt+2]
InChIInChI=1S/C46H32N8O2.2Pt/c1-29-23-31(3)53(49-29)33-11-9-13-35(25-33)55-37-17-19-39-41(27-37)51(43-15-5-7-21-47-43)46-40-20-18-38(28-42(40)52(45(39)46)44-16-6-8-22-48-44)56-36-14-10-12-34(26-36)54-32(4)24-30(2)50-54;;/h5-24H,1-4H3;;/q-4;2*+2
InChIKeyWZYSBMHSVXYOAV-UHFFFAOYSA-N
XLogP9.90
TPSA89.74 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001118.97
LogP ≤ 59.90
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-(3,5-dimethylpyrazol-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-(3,5-dimethylpyrazol-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 154592413) is 2,7-bis[[3-(3,5-dimethylpyrazol-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-(3,5-dimethylpyrazol-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-(3,5-dimethylpyrazol-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 Cc1cc(C)n(-c2[c-]c(Oc3[c-]c4c(cc3)c3c(c5ccc(Oc6[c-]c(-n7nc(C)cc7C)ccc6)[c-]c5n3-c3ccccn3)n4-c3ccccn3)ccc2)n1.[Pt+2].[Pt+2].
What is the InChIKey of 2,7-bis[[3-(3,5-dimethylpyrazol-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 WZYSBMHSVXYOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N8O2.2Pt/c1-29-23-31(3)53(49-29)33-11-9-13-35(25-33)55-37-17-19-39-41(27-37)51(43-15-5-7-21-47-43)46-40-20-18-38(28-42(40)52(45(39)46)44-16-6-8-22-48-44)56-36-14-10-12-34(26-36)54-32(4)24-30(2)50-54;;/h5-24H,1-4H3;;/q-4;2*+2.
What are the key properties of 2,7-bis[[3-(3,5-dimethylpyrazol-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-(3,5-dimethylpyrazol-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 1118.97 g/mol, XLogP of 9.90, 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-(3,5-dimethylpyrazol-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 154592413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).