tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C131H106F3Ir7N10O8PtS2-9 — CID 157255478

About tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 157255478) has the molecular formula C131H106F3Ir7N10O8PtS2-9 and a molecular weight of 3610.08 g/mol. Its IUPAC name is tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 157255478
• Molecular Formula: C131H106F3Ir7N10O8PtS2-9
• Molecular Weight: 3610.08 g/mol
• Exact Mass: 3613.47
• IUPAC Name: tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1cc2ccccc2cc1-c1cc2ccccc2cn1.[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1nccc2ccccc12.[c-]1cnccc1-c1nccc2ccccc12
• InChI: InChI=1S/2C19H12N.C14H12N2.C14H9N2.C13H8NS.C12H7F3N.C11H8N.C9H6NS.4C5H8O2.7Ir.Pt/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-15-11-17(10-9-14(15)5-1)19-12-16-7-3-4-8-18(16)13-20-19;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12;1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;4*1-4(6)3-5(2)7;;;;;;;;/h2*1-9,11-13H;2-7,9-11H,1H3;1-5,7-10H;1-5,7-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;4*3,6H,1-2H3;;;;;;;;/q2*-1;-2;5*-1
• InChIKey: SVNDMSISMLFYOY-UHFFFAOYSA-N
• XLogP: 32.62
• TPSA: 258.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3610.08
LogP ≤ 5	32.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

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 tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 157255478) is tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CN1[CH-]N(c2[c-]cccc2)c2ccccc21.FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1cc2ccccc2cc1-c1cc2ccccc2cn1.[c-]1cc2ccccc2cc1-c1nccc2ccccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1nccc2ccccc12.[c-]1cnccc1-c1nccc2ccccc12.

What is the InChIKey of tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is SVNDMSISMLFYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H12N.C14H12N2.C14H9N2.C13H8NS.C12H7F3N.C11H8N.C9H6NS.4C5H8O2.7Ir.Pt/c1-2-7-16-13-17(10-9-14(16)5-1)19-18-8-4-3-6-15(18)11-12-20-19;1-2-6-15-11-17(10-9-14(15)5-1)19-12-16-7-3-4-8-18(16)13-20-19;1-15-11-16(12-7-3-2-4-8-12)14-10-6-5-9-13(14)15;1-2-4-13-11(3-1)7-10-16-14(13)12-5-8-15-9-6-12;1-2-5-11-10(4-1)7-8-14-13(11)12-6-3-9-15-12;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;4*1-4(6)3-5(2)7;;;;;;;;/h2*1-9,11-13H;2-7,9-11H,1H3;1-5,7-10H;1-5,7-9H;1-4,6-8H;1-6,8-9H;1-4,6-7H;4*3,6H,1-2H3;;;;;;;;/q2*-1;-2;5*-1;;;;;;;;;;;;.

What are the key properties of tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 3610.08 g/mol, XLogP of 32.62, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tetrakis(4-hydroxypent-3-en-2-one);heptakis(iridium);1-methyl-3-phenyl-2H-benzimidazol-2-ide;1-(3H-naphthalen-3-id-2-yl)isoquinoline;3-(3H-naphthalen-3-id-2-yl)isoquinoline;2-phenylpyridine;platinum;1-(3H-pyridin-3-id-4-yl)isoquinoline;1-(3H-thiophen-3-id-2-yl)isoquinoline;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 157255478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).