tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine

C160H141F3Ir5N15O8OsP2PtS-4 — CID 161442813

IUPACtetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Os+].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[c-]1ccccc1-c1nc2ccccc2c2ccccc12.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nccnc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H17N2.C20H13N2.C19H12N.C16H11N2.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.4C5H8O2.5Ir.Os.Pt/c2*1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;4*1-4(6)3-5(2)7;;;;;;;/h1-6,9-11H,7-8,13-14H2;1-11,13-14H;1-8,10-13H;1-9,11-12H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;4*3,6H,1-2H3;;;;;;;/q4*-1;;;-1;;2*-1;;;;;;;;;;+1;/p+2
InChIKeyGCXNZDHODOQVPM-UHFFFAOYSA-P
MW3899.39 g/mol
LogP35.94
Rot. Bonds19

About tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine

tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine (PubChem CID 161442813) has the molecular formula C160H141F3Ir5N15O8OsP2PtS-4 and a molecular weight of 3899.39 g/mol. Its IUPAC name is tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine.

Molecular Properties

Compound Nametetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
PubChem CID161442813
Molecular FormulaC160H141F3Ir5N15O8OsP2PtS-4
Molecular Weight3899.39 g/mol
Exact Mass3902.77
IUPAC Nametetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(=O)C=C(C)O.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Os+].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[c-]1ccccc1-c1nc2ccccc2c2ccccc12.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nccnc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C20H17N2.C20H13N2.C19H12N.C16H11N2.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.4C5H8O2.5Ir.Os.Pt/c2*1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;4*1-4(6)3-5(2)7;;;;;;;/h1-6,9-11H,7-8,13-14H2;1-11,13-14H;1-8,10-13H;1-9,11-12H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;4*3,6H,1-2H3;;;;;;;/q4*-1;;;-1;;2*-1;;;;;;;;;;+1;/p+2
InChIKeyGCXNZDHODOQVPM-UHFFFAOYSA-P
XLogP35.94
TPSA343.76 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds19
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003899.39
LogP ≤ 535.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
The IUPAC name of tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine (CID 161442813) is tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine.
What is the SMILES notation for tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
The canonical SMILES for tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-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.C[PH+](c1ccccc1)c1ccccc1.C[PH+](c1ccccc1)c1ccccc1.Cc1ccnc(-c2nc(C(F)(F)F)n[n-]2)c1.[Ir].[Ir].[Ir].[Ir].[Ir].[Os+].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1nc2c(nc1-c1ccccc1)CCCC2.[c-]1ccccc1-c1nc2ccccc2c2ccccc12.[c-]1ccccc1-c1nc2ccccc2nc1-c1ccccc1.[c-]1ccccc1-c1nccnc1-c1ccccc1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
The InChIKey is GCXNZDHODOQVPM-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H17N2.C20H13N2.C19H12N.C16H11N2.2C13H13P.C11H8N.C10H8N2.C9H6F3N4.C9H6NS.4C5H8O2.5Ir.Os.Pt/c2*1-3-9-15(10-4-1)19-20(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)21-19;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14;2*1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13;1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-5-2-3-13-6(4-5)7-14-8(16-15-7)9(10,11)12;1-2-6-10-8(4-1)9-5-3-7-11-9;4*1-4(6)3-5(2)7;;;;;;;/h1-6,9-11H,7-8,13-14H2;1-11,13-14H;1-8,10-13H;1-9,11-12H;2*2-11H,1H3;1-6,8-9H;1-8H;2-4H,1H3;1-4,6-7H;4*3,6H,1-2H3;;;;;;;/q4*-1;;;-1;;2*-1;;;;;;;;;;+1;/p+2.
What are the key properties of tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine?
tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine has a molecular weight of 3899.39 g/mol, XLogP of 35.94, 19 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(4-hydroxypent-3-en-2-one);pentakis(iridium);bis(methyl(diphenyl)phosphanium);4-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridine;osmium(1+);6-phenylphenanthridine;2-phenyl-3-phenylpyrazine;2-phenyl-3-phenylquinoxaline;2-phenyl-3-phenyl-5,6,7,8-tetrahydroquinoxaline;2-phenylpyridine;platinum;2-pyridin-2-ylpyridine;2-(3H-thiophen-3-id-2-yl)pyridine is sourced from PubChem (CID 161442813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).