2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)

C102H106F6Ir2N6O24Pt3-4 — CID 157314476

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)

2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+) (PubChem CID 157314476) has the molecular formula C102H106F6Ir2N6O24Pt3-4 and a molecular weight of 2883.64 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+).

Molecular Properties

• Compound Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)
• PubChem CID: 157314476
• Molecular Formula: C102H106F6Ir2N6O24Pt3-4
• Molecular Weight: 2883.64 g/mol
• Exact Mass: 2883.54
• IUPAC Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.COc1c[c-]c(-c2ccccn2)c(CO)c1.COc1ccnc(-c2[c-]cc(OC)cc2OC)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cccc2CO)c1.[Ir].[Ir].[Pt+2].[Pt].[Pt]
• InChI: InChI=1S/4C14H14NO3.2C13H12NO2.C5H2F6O2.3C5H8O2.2Ir.3Pt/c1-16-10-4-5-12(14(9-10)18-3)13-8-11(17-2)6-7-15-13;3*1-18-12-2-3-13(11(7-12)9-17)14-6-10(8-16)4-5-15-14;1-16-11-5-6-12(10(8-11)9-15)13-4-2-3-7-14-13;15-8-10-5-6-14-13(7-10)12-4-2-1-3-11(12)9-16;6-4(7,8)2(12)1-3(13)5(9,10)11;3*1-4(6)3-5(2)7;;;;;/h4,6-9H,1-3H3;3*2,4-7,16-17H,8-9H2,1H3;2-5,7-8,15H,9H2,1H3;1-3,5-7,15-16H,8-9H2;1,12H;3*3,6H,1-2H3;;;;;/q6*-1;;;;;;;;;+2
• InChIKey: UIUVNXXODKEJOG-UHFFFAOYSA-N
• XLogP: 16.00
• TPSA: 473.22 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2883.64
LogP ≤ 5	16.00
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)?

The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+) (CID 157314476) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+).

What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)?

The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+) is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.COc1c[c-]c(-c2cc(CO)ccn2)c(CO)c1.COc1c[c-]c(-c2ccccn2)c(CO)c1.COc1ccnc(-c2[c-]cc(OC)cc2OC)c1.O=C(C=C(O)C(F)(F)F)C(F)(F)F.OCc1ccnc(-c2[c-]cccc2CO)c1.[Ir].[Ir].[Pt+2].[Pt].[Pt].

What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)?

The InChIKey is UIUVNXXODKEJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H14NO3.2C13H12NO2.C5H2F6O2.3C5H8O2.2Ir.3Pt/c1-16-10-4-5-12(14(9-10)18-3)13-8-11(17-2)6-7-15-13;3*1-18-12-2-3-13(11(7-12)9-17)14-6-10(8-16)4-5-15-14;1-16-11-5-6-12(10(8-11)9-15)13-4-2-3-7-14-13;15-8-10-5-6-14-13(7-10)12-4-2-1-3-11(12)9-16;6-4(7,8)2(12)1-3(13)5(9,10)11;3*1-4(6)3-5(2)7;;;;;/h4,6-9H,1-3H3;3*2,4-7,16-17H,8-9H2,1H3;2-5,7-8,15H,9H2,1H3;1-3,5-7,15-16H,8-9H2;1,12H;3*3,6H,1-2H3;;;;;/q6*-1;;;;;;;;;+2.

What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+)?

2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+) has a molecular weight of 2883.64 g/mol, XLogP of 16.00, 26 rotatable bonds, 13 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;[2-[2-(hydroxymethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol;tris([2-[2-(hydroxymethyl)-4-methoxybenzene-6-id-1-yl]-4-pyridinyl]methanol);tris(4-hydroxypent-3-en-2-one);bis(iridium);(5-methoxy-2-pyridin-2-ylbenzene-3-id-1-yl)methanol;platinum;platinum(2+) is sourced from PubChem (CID 157314476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).