4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum

C103H83Ir4N10O8OsPt-7 — CID 159813578

IUPAC4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(=O)CC(C)=O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.Cc1n[n-]c(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.C16H12N.3C15H10N.C8H7N4.2C5H8O2.2CHO.4Ir.Os.Pt/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-12-6-5-9-16-14(12)10-11-15(17-16)13-7-3-2-4-8-13;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-6-10-8(12-11-6)7-4-2-3-5-9-7;2*1-4(6)3-5(2)7;2*1-2;;;;;;/h1-14,25-26H;2-7,9-11H,1H3;2*1-7,9-11H;1-6,8-11H;2-5H,1H3;3H2,1-2H3;3,6H,1-2H3;2*1H;;;;;;/q;5*-1;;;2*-1;;;;;;
InChIKeyBNIBKAGFOODEOH-UHFFFAOYSA-N
MW2743.03 g/mol
LogP21.84
Rot. Bonds11

About 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum

4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum (PubChem CID 159813578) has the molecular formula C103H83Ir4N10O8OsPt-7 and a molecular weight of 2743.03 g/mol. Its IUPAC name is 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum.

Molecular Properties

Compound Name4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum
PubChem CID159813578
Molecular FormulaC103H83Ir4N10O8OsPt-7
Molecular Weight2743.03 g/mol
Exact Mass2746.42
IUPAC Name4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(=O)CC(C)=O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.Cc1n[n-]c(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.C16H12N.3C15H10N.C8H7N4.2C5H8O2.2CHO.4Ir.Os.Pt/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-12-6-5-9-16-14(12)10-11-15(17-16)13-7-3-2-4-8-13;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-6-10-8(12-11-6)7-4-2-3-5-9-7;2*1-4(6)3-5(2)7;2*1-2;;;;;;/h1-14,25-26H;2-7,9-11H,1H3;2*1-7,9-11H;1-6,8-11H;2-5H,1H3;3H2,1-2H3;3,6H,1-2H3;2*1H;;;;;;/q;5*-1;;;2*-1;;;;;;
InChIKeyBNIBKAGFOODEOH-UHFFFAOYSA-N
XLogP21.84
TPSA276.15 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds11
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002743.03
LogP ≤ 521.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum?
The IUPAC name of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum (CID 159813578) is 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum.
What is the SMILES notation for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum?
The canonical SMILES for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum is CC(=O)C=C(C)O.CC(=O)CC(C)=O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.Cc1n[n-]c(-c2ccccn2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Ir].[Ir].[Ir].[Ir].[Os].[Pt].[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum?
The InChIKey is BNIBKAGFOODEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.C16H12N.3C15H10N.C8H7N4.2C5H8O2.2CHO.4Ir.Os.Pt/c25-21-13-3-1-7-15(21)17-9-5-11-19(23-17)20-12-6-10-18(24-20)16-8-2-4-14-22(16)26;1-12-6-5-9-16-14(12)10-11-15(17-16)13-7-3-2-4-8-13;2*1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-6-10-8(12-11-6)7-4-2-3-5-9-7;2*1-4(6)3-5(2)7;2*1-2;;;;;;/h1-14,25-26H;2-7,9-11H,1H3;2*1-7,9-11H;1-6,8-11H;2-5H,1H3;3H2,1-2H3;3,6H,1-2H3;2*1H;;;;;;/q;5*-1;;;2*-1;;;;;;.
What are the key properties of 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum?
4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum has a molecular weight of 2743.03 g/mol, XLogP of 21.84, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxypent-3-en-2-one;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;tetrakis(iridium);methanone;2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;5-methyl-2-phenylquinoline;osmium;pentane-2,4-dione;bis(1-phenylisoquinoline);2-phenylquinoline;platinum is sourced from PubChem (CID 159813578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).