[1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)

C174H175Ir4N5O18 — CID 160853219

About [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)

[1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium) (PubChem CID 160853219) has the molecular formula C174H175Ir4N5O18 and a molecular weight of 3393.20 g/mol. Its IUPAC name is [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium).

Molecular Properties

• Compound Name: [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)
• PubChem CID: 160853219
• Molecular Formula: C174H175Ir4N5O18
• Molecular Weight: 3393.20 g/mol
• Exact Mass: 3394.14
• IUPAC Name: [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)
• SMILES: CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[H]/[O+]=C(/C=C(C)O)OCCOC(=O)C(C)CC.[H]/[O+]=C(/C=C(C)O)OCCOC(=O)C(CC)CC(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.[H]/[O+]=C(/C=C(C)O)OCCOC(=O)C(CC)CC(C)n1c2ccccc2c2ccccc21.[H]/[O+]=C(/C=C(C)O)Oc1ccc(C(C)CC)cc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C28H34O5.C25H29NO5.4C24H18N.C14H18O3.C11H18O5.4Ir/c1-6-20(27(31)33-14-13-32-26(30)16-19(3)29)15-18(2)21-11-12-23-22-9-7-8-10-24(22)28(4,5)25(23)17-21;1-4-19(25(29)31-14-13-30-24(28)16-18(3)27)15-17(2)26-22-11-7-5-9-20(22)21-10-6-8-12-23(21)26;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;3*1-24(2)21-10-6-5-9-19(21)20-12-11-17(13-22(20)24)23-14-16-7-3-4-8-18(16)15-25-23;1-4-10(2)12-5-7-13(8-6-12)17-14(16)9-11(3)15;1-4-8(2)11(14)16-6-5-15-10(13)7-9(3)12;;;;/h7-12,16-18,20,29H,6,13-15H2,1-5H3;5-12,16-17,19,27H,4,13-15H2,1-3H3;4*3-10,12-15H,1-2H3;5-10,15H,4H2,1-3H3;7-8,12H,4-6H2,1-3H3;;;;/q;;4*-1;;;;;;/p+4
• InChIKey: AACWCEJKXYWNPI-UHFFFAOYSA-R
• XLogP: 40.46
• TPSA: 338.83 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 32
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3393.20
LogP ≤ 5	40.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)?

The IUPAC name of [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium) (CID 160853219) is [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium).

What is the SMILES notation for [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)?

The canonical SMILES for [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium) is CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3cc4ccccc4cn3)cc21.CC1(C)c2ccccc2-c2c[c-]c(-c3ccc4ccccc4n3)cc21.[H]/[O+]=C(/C=C(C)O)OCCOC(=O)C(C)CC.[H]/[O+]=C(/C=C(C)O)OCCOC(=O)C(CC)CC(C)c1ccc2c(c1)C(C)(C)c1ccccc1-2.[H]/[O+]=C(/C=C(C)O)OCCOC(=O)C(CC)CC(C)n1c2ccccc2c2ccccc21.[H]/[O+]=C(/C=C(C)O)Oc1ccc(C(C)CC)cc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)?

The InChIKey is AACWCEJKXYWNPI-UHFFFAOYSA-R. The full InChI is InChI=1S/C28H34O5.C25H29NO5.4C24H18N.C14H18O3.C11H18O5.4Ir/c1-6-20(27(31)33-14-13-32-26(30)16-19(3)29)15-18(2)21-11-12-23-22-9-7-8-10-24(22)28(4,5)25(23)17-21;1-4-19(25(29)31-14-13-30-24(28)16-18(3)27)15-17(2)26-22-11-7-5-9-20(22)21-10-6-8-12-23(21)26;1-24(2)20-9-5-4-8-18(20)19-13-11-17(15-21(19)24)23-14-12-16-7-3-6-10-22(16)25-23;3*1-24(2)21-10-6-5-9-19(21)20-12-11-17(13-22(20)24)23-14-16-7-3-4-8-18(16)15-25-23;1-4-10(2)12-5-7-13(8-6-12)17-14(16)9-11(3)15;1-4-8(2)11(14)16-6-5-15-10(13)7-9(3)12;;;;/h7-12,16-18,20,29H,6,13-15H2,1-5H3;5-12,16-17,19,27H,4,13-15H2,1-3H3;4*3-10,12-15H,1-2H3;5-10,15H,4H2,1-3H3;7-8,12H,4-6H2,1-3H3;;;;/q;;4*-1;;;;;;/p+4.

What are the key properties of [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium)?

[1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium) has a molecular weight of 3393.20 g/mol, XLogP of 40.46, 32 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-butan-2-ylphenoxy)-3-hydroxybut-2-enylidene]oxidanium;[1-[2-(4-carbazol-9-yl-2-ethylpentanoyl)oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;tris(3-(9,9-dimethyl-3H-fluoren-3-id-2-yl)isoquinoline);2-(9,9-dimethyl-3H-fluoren-3-id-2-yl)quinoline;[1-[2-[4-(9,9-dimethylfluoren-2-yl)-2-ethylpentanoyl]oxyethoxy]-3-hydroxybut-2-enylidene]oxidanium;[3-hydroxy-1-[2-(2-methylbutanoyloxy)ethoxy]but-2-enylidene]oxidanium;tetrakis(iridium) is sourced from PubChem (CID 160853219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).