cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum

C103H84CsIr4N10O8Pt-5 — CID 159025360

IUPACcesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.Cc1n[n-]c(-c2cccc[nH+]2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Cs+].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.C16H12N.3C15H10N.C8H7N4.2C5H8O2.2CHO.Cs.4Ir.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;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;1-8,10-11H;1-7,9-11H;1-6,8-11H;2-5H,1H3;2*3,6H,1-2H3;2*1H;;;;;;/q;5*-1;;;2*-1;+1;;;;;/p+1
InChIKeyFBJVSRIBIBSDQX-UHFFFAOYSA-O
MW2686.72 g/mol
LogP18.75
Rot. Bonds10

About cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum

cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum (PubChem CID 159025360) has the molecular formula C103H84CsIr4N10O8Pt-5 and a molecular weight of 2686.72 g/mol. Its IUPAC name is cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum.

Molecular Properties

Compound Namecesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum
PubChem CID159025360
Molecular FormulaC103H84CsIr4N10O8Pt-5
Molecular Weight2686.72 g/mol
Exact Mass2688.37
IUPAC Namecesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.Cc1n[n-]c(-c2cccc[nH+]2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Cs+].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12
InChIInChI=1S/C22H16N2O2.C16H12N.3C15H10N.C8H7N4.2C5H8O2.2CHO.Cs.4Ir.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;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;1-8,10-11H;1-7,9-11H;1-6,8-11H;2-5H,1H3;2*3,6H,1-2H3;2*1H;;;;;;/q;5*-1;;;2*-1;+1;;;;;/p+1
InChIKeyFBJVSRIBIBSDQX-UHFFFAOYSA-O
XLogP18.75
TPSA280.56 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002686.72
LogP ≤ 518.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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'}

Analyze cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum?
The IUPAC name of cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum (CID 159025360) is cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum.
What is the SMILES notation for cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum?
The canonical SMILES for cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum is CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1cccc2nc(-c3[c-]cccc3)ccc12.Cc1n[n-]c(-c2cccc[nH+]2)n1.Oc1ccccc1-c1cccc(-c2cccc(-c3ccccc3O)n2)n1.[CH-]=O.[CH-]=O.[Cs+].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccc2ccccc2c1-c1ccccn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1nccc2ccccc12.
What is the InChIKey of cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum?
The InChIKey is FBJVSRIBIBSDQX-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H16N2O2.C16H12N.3C15H10N.C8H7N4.2C5H8O2.2CHO.Cs.4Ir.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;1-2-8-13-12(6-1)7-5-9-14(13)15-10-3-4-11-16-15;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;1-8,10-11H;1-7,9-11H;1-6,8-11H;2-5H,1H3;2*3,6H,1-2H3;2*1H;;;;;;/q;5*-1;;;2*-1;+1;;;;;/p+1.
What are the key properties of cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum?
cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum has a molecular weight of 2686.72 g/mol, XLogP of 18.75, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;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)pyridin-1-ium;5-methyl-2-phenylquinoline;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;2-phenylquinoline;platinum is sourced from PubChem (CID 159025360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).