4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum

C71H58Ir3N12Pt-4 — CID 157131408

IUPAC4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum
SMILESCn1cnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)c1.Cn1cnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1cnc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccn2)cc1-c1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H13N4.C19H17N2.C18H16N3.C15H12N3.3Ir.Pt/c1-2-9-17(10-3-1)23-14-21-19(22-23)16-8-6-7-15(13-16)18-11-4-5-12-20-18;1-19(2)16-7-5-4-6-14(16)15-9-8-13(10-17(15)19)18-11-21(3)12-20-18;1-18(2)15-7-5-4-6-13(15)14-9-8-12(10-16(14)18)17-19-11-21(3)20-17;1-18-11-16-15(17-18)14-9-5-8-13(10-14)12-6-3-2-4-7-12;;;;/h1-7,9-14H;4-7,9-12H,1-3H3;4-7,9-11H,1-3H3;2-8,10-11H,1H3;;;;/q4*-1;;;;
InChIKeyGIOGIHIBWPACEN-UHFFFAOYSA-N
MW1851.06 g/mol
LogP14.52
Rot. Bonds7

About 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum

4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum (PubChem CID 157131408) has the molecular formula C71H58Ir3N12Pt-4 and a molecular weight of 1851.06 g/mol. Its IUPAC name is 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum.

Molecular Properties

Compound Name4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum
PubChem CID157131408
Molecular FormulaC71H58Ir3N12Pt-4
Molecular Weight1851.06 g/mol
Exact Mass1852.35
IUPAC Name4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum
SMILESCn1cnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)c1.Cn1cnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1cnc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccn2)cc1-c1ncn(-c2ccccc2)n1
InChIInChI=1S/C19H13N4.C19H17N2.C18H16N3.C15H12N3.3Ir.Pt/c1-2-9-17(10-3-1)23-14-21-19(22-23)16-8-6-7-15(13-16)18-11-4-5-12-20-18;1-19(2)16-7-5-4-6-14(16)15-9-8-13(10-17(15)19)18-11-21(3)12-20-18;1-18(2)15-7-5-4-6-13(15)14-9-8-12(10-16(14)18)17-19-11-21(3)20-17;1-18-11-16-15(17-18)14-9-5-8-13(10-14)12-6-3-2-4-7-12;;;;/h1-7,9-14H;4-7,9-12H,1-3H3;4-7,9-11H,1-3H3;2-8,10-11H,1H3;;;;/q4*-1;;;;
InChIKeyGIOGIHIBWPACEN-UHFFFAOYSA-N
XLogP14.52
TPSA122.84 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001851.06
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum?
The IUPAC name of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum (CID 157131408) is 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum.
What is the SMILES notation for 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum?
The canonical SMILES for 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum is Cn1cnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)c1.Cn1cnc(-c2[c-]cc3c(c2)C(C)(C)c2ccccc2-3)n1.Cn1cnc(-c2[c-]ccc(-c3ccccc3)c2)n1.[Ir].[Ir].[Ir].[Pt].[c-]1ccc(-c2ccccn2)cc1-c1ncn(-c2ccccc2)n1.
What is the InChIKey of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum?
The InChIKey is GIOGIHIBWPACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N4.C19H17N2.C18H16N3.C15H12N3.3Ir.Pt/c1-2-9-17(10-3-1)23-14-21-19(22-23)16-8-6-7-15(13-16)18-11-4-5-12-20-18;1-19(2)16-7-5-4-6-14(16)15-9-8-13(10-17(15)19)18-11-21(3)12-20-18;1-18(2)15-7-5-4-6-13(15)14-9-8-12(10-16(14)18)17-19-11-21(3)20-17;1-18-11-16-15(17-18)14-9-5-8-13(10-14)12-6-3-2-4-7-12;;;;/h1-7,9-14H;4-7,9-12H,1-3H3;4-7,9-11H,1-3H3;2-8,10-11H,1H3;;;;/q4*-1;;;;.
What are the key properties of 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum?
4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum has a molecular weight of 1851.06 g/mol, XLogP of 14.52, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methylimidazole;3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)-1-methyl-1,2,4-triazole;tris(iridium);1-methyl-3-(3-phenylbenzene-6-id-1-yl)-1,2,4-triazole;2-[3-(1-phenyl-1,2,4-triazol-3-yl)benzene-4-id-1-yl]pyridine;platinum is sourced from PubChem (CID 157131408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).