tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))

C103H99F9N24Pt3 — CID 158110758

IUPACtris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cc1cc(-c2nccn2C)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C24H22F3N4.C13H11N4.C10H13N4.C8H9N4.3Pt/c3*1-13(2)17-6-5-7-18(14(3)4)20(17)16-8-9-19-15(12-16)10-11-28-21(19)22-29-23(31-30-22)24(25,26)27;1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;1-6-5-7(11-10-6)8-9-3-4-12(8)2;;;/h3*5-14H,1-4H3;2-9H,1H3;4-7H,1-3H3;3-5H,1-2H3;;;/q6*-1;3*+2
InChIKeyFQKCIHLHTRZQLD-UHFFFAOYSA-N
MW2429.31 g/mol
LogP24.48
Rot. Bonds17

About tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))

tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)) (PubChem CID 158110758) has the molecular formula C103H99F9N24Pt3 and a molecular weight of 2429.31 g/mol. Its IUPAC name is tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)).

Molecular Properties

Compound Nametris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))
PubChem CID158110758
Molecular FormulaC103H99F9N24Pt3
Molecular Weight2429.31 g/mol
Exact Mass2427.73
IUPAC Nametris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))
SMILESCC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cc1cc(-c2nccn2C)[n-]n1.[Pt+2].[Pt+2].[Pt+2]
InChIInChI=1S/3C24H22F3N4.C13H11N4.C10H13N4.C8H9N4.3Pt/c3*1-13(2)17-6-5-7-18(14(3)4)20(17)16-8-9-19-15(12-16)10-11-28-21(19)22-29-23(31-30-22)24(25,26)27;1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;1-6-5-7(11-10-6)8-9-3-4-12(8)2;;;/h3*5-14H,1-4H3;2-9H,1H3;4-7H,1-3H3;3-5H,1-2H3;;;/q6*-1;3*+2
InChIKeyFQKCIHLHTRZQLD-UHFFFAOYSA-N
XLogP24.48
TPSA292.74 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms139
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002429.31
LogP ≤ 524.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)) with MolForge

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Frequently Asked Questions

What is the IUPAC name of tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))?
The IUPAC name of tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)) (CID 158110758) is tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)).
What is the SMILES notation for tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))?
The canonical SMILES for tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)) is CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.CC(C)c1cccc(C(C)C)c1-c1ccc2c(-c3nc(C(F)(F)F)n[n-]3)nccc2c1.Cc1cc(-c2nccn2-c2ccccc2)[n-]n1.Cc1cc(-c2nccn2C(C)C)[n-]n1.Cc1cc(-c2nccn2C)[n-]n1.[Pt+2].[Pt+2].[Pt+2].
What is the InChIKey of tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))?
The InChIKey is FQKCIHLHTRZQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H22F3N4.C13H11N4.C10H13N4.C8H9N4.3Pt/c3*1-13(2)17-6-5-7-18(14(3)4)20(17)16-8-9-19-15(12-16)10-11-28-21(19)22-29-23(31-30-22)24(25,26)27;1-10-9-12(16-15-10)13-14-7-8-17(13)11-5-3-2-4-6-11;1-7(2)14-5-4-11-10(14)9-6-8(3)12-13-9;1-6-5-7(11-10-6)8-9-3-4-12(8)2;;;/h3*5-14H,1-4H3;2-9H,1H3;4-7H,1-3H3;3-5H,1-2H3;;;/q6*-1;3*+2.
What are the key properties of tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+))?
tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)) has a molecular weight of 2429.31 g/mol, XLogP of 24.48, 17 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(6-[2,6-di(propan-2-yl)phenyl]-1-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]isoquinoline);3-methyl-5-(1-methylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-phenylimidazol-2-yl)pyrazol-1-ide;3-methyl-5-(1-propan-2-ylimidazol-2-yl)pyrazol-1-ide;tris(platinum(2+)) is sourced from PubChem (CID 158110758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).