tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)

C155H129F6Ir9N16O12Pt2-11 — CID 159988454

About tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) (PubChem CID 159988454) has the molecular formula C155H129F6Ir9N16O12Pt2-11 and a molecular weight of 4641.93 g/mol. Its IUPAC name is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid).

Molecular Properties

• Compound Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)
• PubChem CID: 159988454
• Molecular Formula: C155H129F6Ir9N16O12Pt2-11
• Molecular Weight: 4641.93 g/mol
• Exact Mass: 4646.59
• IUPAC Name: tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)
• SMILES: C/N=C/c1ccccc1O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1cccnc1-c1[c-]cccc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1
• InChI: InChI=1S/C12H10NO.2C12H10N.3C11H6F2N.3C11H8N.2C9H7N2.C8H9NO.2C6H5NO2.3C5H8O2.9Ir.2Pt/c1-14-11-8-5-9-13-12(11)10-6-3-2-4-7-10;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-9(6-3-1)11-8-4-7-10-11;1-9-6-7-4-2-3-5-8(7)10;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;/h2-6,8-9H,1H3;2*2-7,9H,1H3;3*1-4,6-7H;3*1-6,8-9H;2*1-5,7-8H;2-6,10H,1H3;2*1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;/q11*-1;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;9-6+
• InChIKey: MTQYXVUYURBUIR-NXKMZTBMSA-N
• XLogP: 33.83
• TPSA: 405.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4641.93
LogP ≤ 5	33.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

The IUPAC name of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) (CID 159988454) is tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid).

What is the SMILES notation for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

The canonical SMILES for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) is C/N=C/c1ccccc1O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1cccnc1-c1[c-]cccc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1cccnc1-c1[c-]cccc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccccn1.O=C(O)c1ccccn1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1.

What is the InChIKey of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

The InChIKey is MTQYXVUYURBUIR-NXKMZTBMSA-N. The full InChI is InChI=1S/C12H10NO.2C12H10N.3C11H6F2N.3C11H8N.2C9H7N2.C8H9NO.2C6H5NO2.3C5H8O2.9Ir.2Pt/c1-14-11-8-5-9-13-12(11)10-6-3-2-4-7-10;1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;1-10-6-5-9-13-12(10)11-7-3-2-4-8-11;3*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;3*1-2-6-10(7-3-1)11-8-4-5-9-12-11;2*1-2-5-9(6-3-1)11-8-4-7-10-11;1-9-6-7-4-2-3-5-8(7)10;2*8-6(9)5-3-1-2-4-7-5;3*1-4(6)3-5(2)7;;;;;;;;;;;/h2-6,8-9H,1H3;2*2-7,9H,1H3;3*1-4,6-7H;3*1-6,8-9H;2*1-5,7-8H;2-6,10H,1H3;2*1-4H,(H,8,9);3*3,6H,1-2H3;;;;;;;;;;;/q11*-1;;;;;;;;;;;;;;;;;/b;;;;;;;;;;;9-6+;;;;;;;;;;;;;;;;.

What are the key properties of tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid)?

tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) has a molecular weight of 4641.93 g/mol, XLogP of 33.83, 18 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);tris(4-hydroxypent-3-en-2-one);nonakis(iridium);3-methoxy-2-phenylpyridine;2-(4-methylbenzene-6-id-1-yl)pyridine;2-(methyliminomethyl)phenol;3-methyl-2-phenylpyridine;bis(1-phenylpyrazole);tris(2-phenylpyridine);platinum;bis(pyridine-2-carboxylic acid) is sourced from PubChem (CID 159988454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).