bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum

C103H81Ir4N10O8OsPt-9 — CID 158547533

IUPACbis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(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-c1[c-]ncc2ccccc12.[c-]1ccccc1-c1[c-]ncc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C22H16N2O2.C16H12N.2C15H9N.C15H10N.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*1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)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*1-6,8-10H;1-6,8-11H;2-5H,1H3;2*3,6H,1-2H3;2*1H;;;;;;/q;-1;2*-2;2*-1;;;2*-1;;;;;;
InChIKeyQENOHNIMTMNAPV-UHFFFAOYSA-N
MW2741.02 g/mol
LogP21.92
Rot. Bonds10

About bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum

bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum (PubChem CID 158547533) has the molecular formula C103H81Ir4N10O8OsPt-9 and a molecular weight of 2741.02 g/mol. Its IUPAC name is bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum.

Molecular Properties

Compound Namebis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum
PubChem CID158547533
Molecular FormulaC103H81Ir4N10O8OsPt-9
Molecular Weight2741.02 g/mol
Exact Mass2744.41
IUPAC Namebis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(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-c1[c-]ncc2ccccc12.[c-]1ccccc1-c1[c-]ncc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1
InChIInChI=1S/C22H16N2O2.C16H12N.2C15H9N.C15H10N.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*1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)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*1-6,8-10H;1-6,8-11H;2-5H,1H3;2*3,6H,1-2H3;2*1H;;;;;;/q;-1;2*-2;2*-1;;;2*-1;;;;;;
InChIKeyQENOHNIMTMNAPV-UHFFFAOYSA-N
XLogP21.92
TPSA279.31 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002741.02
LogP ≤ 521.92
H-Bond Donors ≤ 54
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': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum?
The IUPAC name of bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum (CID 158547533) is bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum.
What is the SMILES notation for bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum?
The canonical SMILES for bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum is CC(=O)C=C(C)O.CC(=O)C=C(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-c1[c-]ncc2ccccc12.[c-]1ccccc1-c1[c-]ncc2ccccc12.[c-]1ccccc1-c1ccc2ccccc2n1.
What is the InChIKey of bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum?
The InChIKey is QENOHNIMTMNAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2.C16H12N.2C15H9N.C15H10N.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*1-2-6-12(7-3-1)15-11-16-10-13-8-4-5-9-14(13)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*1-6,8-10H;1-6,8-11H;2-5H,1H3;2*3,6H,1-2H3;2*1H;;;;;;/q;-1;2*-2;2*-1;;;2*-1;;;;;;.
What are the key properties of bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum?
bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum has a molecular weight of 2741.02 g/mol, XLogP of 21.92, 10 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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;bis(4-phenyl-3H-isoquinolin-3-ide);2-phenylquinoline;platinum is sourced from PubChem (CID 158547533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).