2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid

C171H135F2Ir4N15O7Pt2-3 — CID 157228188

IUPAC2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid
SMILESCC(=O)C=C(C)O.COc1cccnc1-c1[c-]cccc1.COc1cccnc1-c1[c-]cccc1.COc1cccnc1-c1[c-]cccc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.O=C(O)c1ccccn1.[Ir+3].[Ir+3].[Ir+3].[Ir].[Pt+2].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C12H10NO.3C12H10N.C11H6F2N.7C11H8N.C6H5NO2.C5H8O2.4Ir.2Pt/c3*1-14-11-8-5-9-13-12(11)10-6-3-2-4-7-10;3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;7*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h3*2-6,8-9H,1H3;3*2-7,9H,1H3;1-3,5-7H;7*1-6,8-9H;1-4H,(H,8,9);3,6H,1-2H3;;;;;;/q14*-1;;;;3*+3;;+2
InChIKeyNWEAVMRXRURIPM-UHFFFAOYSA-N
MW3709.08 g/mol
LogP38.71
Rot. Bonds19

About 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid

2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid (PubChem CID 157228188) has the molecular formula C171H135F2Ir4N15O7Pt2-3 and a molecular weight of 3709.08 g/mol. Its IUPAC name is 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid
PubChem CID157228188
Molecular FormulaC171H135F2Ir4N15O7Pt2-3
Molecular Weight3709.08 g/mol
Exact Mass3709.85
IUPAC Name2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid
SMILESCC(=O)C=C(C)O.COc1cccnc1-c1[c-]cccc1.COc1cccnc1-c1[c-]cccc1.COc1cccnc1-c1[c-]cccc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.O=C(O)c1ccccn1.[Ir+3].[Ir+3].[Ir+3].[Ir].[Pt+2].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/3C12H10NO.3C12H10N.C11H6F2N.7C11H8N.C6H5NO2.C5H8O2.4Ir.2Pt/c3*1-14-11-8-5-9-13-12(11)10-6-3-2-4-7-10;3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;7*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h3*2-6,8-9H,1H3;3*2-7,9H,1H3;1-3,5-7H;7*1-6,8-9H;1-4H,(H,8,9);3,6H,1-2H3;;;;;;/q14*-1;;;;3*+3;;+2
InChIKeyNWEAVMRXRURIPM-UHFFFAOYSA-N
XLogP38.71
TPSA295.64 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003709.08
LogP ≤ 538.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

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'}

Analyze 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-methylpyridine;2-(4-fluorobenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;2-(4-fluorobenzene-6-id-1-yl)-N,N-diphenylpyridin-4-amine;4-hydroxypent-3-en-2-one;pentakis(iridium);pyridine-2-carboxylic acid
CID 157181533
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)-4-methoxypyridine;bis(2-(3,3,4,4,5,5-hexafluorocyclopenten-1-yl)pyridine);4-hydroxypent-3-en-2-ylideneoxidanium;pentakis(iridium);bis(2-(3,3,4,4,5,5,6,6-octafluorocyclohexen-1-yl)pyridine);bis(2-phenylpyridine);bis(pyridine-2-carboxylic acid)
CID 157289839
bis(2,6-dimethoxy-3-pyridin-2-yl-4H-pyridin-4-ide);bis(2,6-dimethoxy-3-[5-(trifluoromethyl)-2-pyridinyl]-4H-pyridin-4-ide);tetrakis(iridium);bis(6-methoxy-2-methyl-3-(4-methyl-2-pyridinyl)-4H-pyridin-4-ide);bis(6-methoxy-2-methyl-3-pyridin-2-yl-4H-pyridin-4-ide);tetrakis(pyridine-2-carboxylic acid)
CID 157304481
tetrakis(1-[2-(2,4-diphenoxybenzene-6-id-1-yl)-4-pyridinyl]-N-methylmethanamine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);pyridine-2-carboxylic acid
CID 157763976
bis(2-[2,4-bis(phenylsulfanyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);N,N-dimethyl-2-(4-phenoxy-2-phenylsulfanylbenzene-6-id-1-yl)pyridin-4-amine;2-(2,4-dipyridin-3-yloxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);pyridine-2-carboxylic acid
CID 158088847
1,1,1,5,5,5-Hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;bis(4-methoxy-2-[3-methyl-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine);pentakis([2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]-4-pyridinyl]methanol);platinum;bis(platinum(2+));pyridine-2-carboxylic acid
CID 158505362
[(Z)-3-[(2,4-difluorobenzene-6-id-1-yl)amino]prop-2-enylidene]azanide;tris(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethoxybenzene-6-id-1-yl)pyridine);tetrakis(iridium);iridium(3+);pyridine-2-carboxylic acid;[C-pyridin-2-yl-N-(2,2,2-trifluoroethanimidoyl)carbonimidoyl]azanide;[(Z)-4,4,4-trifluoro-3-imino-1-pyridin-2-ylbut-1-enyl]azanide
CID 158756793
2-(2,4-Difluorobenzene-6-id-1-yl)-4-methoxypyridine;tetrakis([2-(2,4-difluorobenzene-6-id-1-yl)-4-pyridinyl]methanol);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;platinum(2+);pyridine-2-carboxylic acid
CID 158959065
Tetrakis(2-[3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-4-methylsulfanylpyridine);2-(2,4-difluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine;2-(2,4-difluorobenzene-6-id-1-yl)-4-phenoxypyridine;bis(2-(2-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);bis(2-(4-fluorobenzene-6-id-1-yl)-4-methylsulfanylpyridine);4-hydroxypent-3-en-2-one;platinum;tetrakis(platinum(2+));pyridine-2-carboxylic acid
CID 159014963
Heptakis(2-(2,4-difluorobenzene-6-id-1-yl)-4-methoxypyridine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
CID 159130091
2-[2,4-bis(phenylsulfanyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine;tris(2-(2,4-diphenoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;4-hydroxypent-3-en-2-one;tetrakis(iridium);pyridine-2-carboxylic acid
CID 159261361
[3,5-Bis(trifluoromethyl)phenyl]-[3-methyl-5-(trifluoromethyl)phenyl]-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]phosphanium;bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);bis(2-(2,4-dimethoxybenzene-6-id-1-yl)pyridine);bis(iridium);iridium(3+);tris(2-phenylpyridine);pyridine-2-carboxylic acid
CID 159974135

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid?
The IUPAC name of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid (CID 157228188) is 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid is CC(=O)C=C(C)O.COc1cccnc1-c1[c-]cccc1.COc1cccnc1-c1[c-]cccc1.COc1cccnc1-c1[c-]cccc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.O=C(O)c1ccccn1.[Ir+3].[Ir+3].[Ir+3].[Ir].[Pt+2].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid?
The InChIKey is NWEAVMRXRURIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H10NO.3C12H10N.C11H6F2N.7C11H8N.C6H5NO2.C5H8O2.4Ir.2Pt/c3*1-14-11-8-5-9-13-12(11)10-6-3-2-4-7-10;3*1-10-5-7-11(8-6-10)12-4-2-3-9-13-12;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;7*1-2-6-10(7-3-1)11-8-4-5-9-12-11;8-6(9)5-3-1-2-4-7-5;1-4(6)3-5(2)7;;;;;;/h3*2-6,8-9H,1H3;3*2-7,9H,1H3;1-3,5-7H;7*1-6,8-9H;1-4H,(H,8,9);3,6H,1-2H3;;;;;;/q14*-1;;;;3*+3;;+2.
What are the key properties of 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid?
2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid has a molecular weight of 3709.08 g/mol, XLogP of 38.71, 19 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;iridium;tris(iridium(3+));tris(3-methoxy-2-phenylpyridine);tris(2-(4-methylbenzene-6-id-1-yl)pyridine);heptakis(2-phenylpyridine);platinum;platinum(2+);pyridine-2-carboxylic acid is sourced from PubChem (CID 157228188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).