bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)

C65H52F6Ir4N6O4-4 — CID 159055411

About bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)

bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) (PubChem CID 159055411) has the molecular formula C65H52F6Ir4N6O4-4 and a molecular weight of 1864.02 g/mol. Its IUPAC name is bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium).

Molecular Properties

• Compound Name: bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)
• PubChem CID: 159055411
• Molecular Formula: C65H52F6Ir4N6O4-4
• Molecular Weight: 1864.02 g/mol
• Exact Mass: 1866.25
• IUPAC Name: bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)
• SMILES: CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C23H16FN2.C13H12FN2.2C12H8F2NO.C5H8O2.4Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;2*13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;1-4(6)3-5(2)7;;;;/h1-11,13-17H;3,5-9H,1-2H3;2*1,3-6,16H,7H2;3,6H,1-2H3;;;;/q4*-1
• InChIKey: ZCFZZDJKVPWLFQ-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 135.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1864.02
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

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 bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?

The IUPAC name of bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) (CID 159055411) is bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium).

What is the SMILES notation for bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?

The canonical SMILES for bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) is CC(=O)C=C(C)O.CN(C)c1ccnc(-c2[c-]cc(F)cc2)c1.Fc1c[c-]c(-c2cc(N(c3ccccc3)c3ccccc3)ccn2)cc1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.OCc1ccnc(-c2[c-]cc(F)cc2F)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?

The InChIKey is ZCFZZDJKVPWLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN2.C13H12FN2.2C12H8F2NO.C5H8O2.4Ir/c24-19-13-11-18(12-14-19)23-17-22(15-16-25-23)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21;1-16(2)12-7-8-15-13(9-12)10-3-5-11(14)6-4-10;2*13-9-1-2-10(11(14)6-9)12-5-8(7-16)3-4-15-12;1-4(6)3-5(2)7;;;;/h1-11,13-17H;3,5-9H,1-2H3;2*1,3-6,16H,7H2;3,6H,1-2H3;;;;/q4*-1;;;;;.

What are the key properties of bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium)?

bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) has a molecular weight of 1864.02 g/mol, XLogP of 14.58, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;tetrakis(iridium) is sourced from PubChem (CID 159055411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).