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

C56H38N8O2Pt2-6 — CID 154592390

IUPAC2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-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)ccc6)[c-]c5n3-c3cc(-c5ccccc5)ccn3)n4-c3cc(-c4ccccc4)ccn3)ccc2)[CH-]1.[Pt].[Pt]
InChIInChI=1S/C56H38N8O2.2Pt/c1-59-27-29-61(37-59)43-15-9-17-45(33-43)65-47-19-21-49-51(35-47)63(53-31-41(23-25-57-53)39-11-5-3-6-12-39)56-50-22-20-48(66-46-18-10-16-44(34-46)62-30-28-60(2)38-62)36-52(50)64(55(49)56)54-32-42(24-26-58-54)40-13-7-4-8-14-40;;/h3-32,37-38H,1-2H3;;/q-6;;
InChIKeyLLDLVECOIMLCPC-UHFFFAOYSA-N
MW1245.13 g/mol
LogP12.32
Rot. Bonds10

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

2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (PubChem CID 154592390) has the molecular formula C56H38N8O2Pt2-6 and a molecular weight of 1245.13 g/mol. Its IUPAC name is 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum.

Molecular Properties

Compound Name2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum
PubChem CID154592390
Molecular FormulaC56H38N8O2Pt2-6
Molecular Weight1245.13 g/mol
Exact Mass1244.24
IUPAC Name2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-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)ccc6)[c-]c5n3-c3cc(-c5ccccc5)ccn3)n4-c3cc(-c4ccccc4)ccn3)ccc2)[CH-]1.[Pt].[Pt]
InChIInChI=1S/C56H38N8O2.2Pt/c1-59-27-29-61(37-59)43-15-9-17-45(33-43)65-47-19-21-49-51(35-47)63(53-31-41(23-25-57-53)39-11-5-3-6-12-39)56-50-22-20-48(66-46-18-10-16-44(34-46)62-30-28-60(2)38-62)36-52(50)64(55(49)56)54-32-42(24-26-58-54)40-13-7-4-8-14-40;;/h3-32,37-38H,1-2H3;;/q-6;;
InChIKeyLLDLVECOIMLCPC-UHFFFAOYSA-N
XLogP12.32
TPSA67.06 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001245.13
LogP ≤ 512.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?
The IUPAC name of 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum (CID 154592390) is 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum.
What is the SMILES notation for 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?
The canonical SMILES for 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-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)ccc6)[c-]c5n3-c3cc(-c5ccccc5)ccn3)n4-c3cc(-c4ccccc4)ccn3)ccc2)[CH-]1.[Pt].[Pt].
What is the InChIKey of 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?
The InChIKey is LLDLVECOIMLCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N8O2.2Pt/c1-59-27-29-61(37-59)43-15-9-17-45(33-43)65-47-19-21-49-51(35-47)63(53-31-41(23-25-57-53)39-11-5-3-6-12-39)56-50-22-20-48(66-46-18-10-16-44(34-46)62-30-28-60(2)38-62)36-52(50)64(55(49)56)54-32-42(24-26-58-54)40-13-7-4-8-14-40;;/h3-32,37-38H,1-2H3;;/q-6;;.
What are the key properties of 2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum?
2,7-bis[[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum has a molecular weight of 1245.13 g/mol, XLogP of 12.32, 10 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-methyl-2H-imidazol-2-id-1-yl)benzene-2-id-1-yl]oxy]-5,10-bis(4-phenyl-2-pyridinyl)-1,6-dihydroindolo[3,2-b]indole-1,6-diide;platinum is sourced from PubChem (CID 154592390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).