2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid

C122H134N13O19Pt5-3 — CID 158491072

About 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid

2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid (PubChem CID 158491072) has the molecular formula C122H134N13O19Pt5-3 and a molecular weight of 3061.88 g/mol. Its IUPAC name is 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
• PubChem CID: 158491072
• Molecular Formula: C122H134N13O19Pt5-3
• Molecular Weight: 3061.88 g/mol
• Exact Mass: 3059.82
• IUPAC Name: 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid
• SMILES: CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCN(CC)c1ccnc(-c2[c-]cc(OC)cc2OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1ccnc(-c2[c-]cc(OC)cc2OC)c1.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-c1nccc2ccccc12
• InChI: InChI=1S/C17H21N2O2.4C15H17N2O2.C15H10N.C14H14NO3.C6H5NO2.2C5H8O2.5Pt/c1-5-19(6-2)13-9-10-18-16(11-13)15-8-7-14(20-3)12-17(15)21-4;4*1-17(2)11-7-8-16-14(9-11)13-6-5-12(18-3)10-15(13)19-4;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-16-10-4-5-12(14(9-10)18-3)13-8-11(17-2)6-7-15-13;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;/h7,9-12H,5-6H2,1-4H3;4*5,7-10H,1-4H3;1-7,9-11H;4,6-9H,1-3H3;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2
• InChIKey: NFPMWDHKFZUUDH-UHFFFAOYSA-N
• XLogP: 23.06
• TPSA: 351.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3061.88
LogP ≤ 5	23.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

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'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The IUPAC name of 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid (CID 158491072) is 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid.

What is the SMILES notation for 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The canonical SMILES for 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCN(CC)c1ccnc(-c2[c-]cc(OC)cc2OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1c[c-]c(-c2cc(N(C)C)ccn2)c(OC)c1.COc1ccnc(-c2[c-]cc(OC)cc2OC)c1.O=C(O)c1ccccn1.[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1ccccc1-c1nccc2ccccc12.

What is the InChIKey of 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

The InChIKey is NFPMWDHKFZUUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N2O2.4C15H17N2O2.C15H10N.C14H14NO3.C6H5NO2.2C5H8O2.5Pt/c1-5-19(6-2)13-9-10-18-16(11-13)15-8-7-14(20-3)12-17(15)21-4;4*1-17(2)11-7-8-16-14(9-11)13-6-5-12(18-3)10-15(13)19-4;1-2-7-13(8-3-1)15-14-9-5-4-6-12(14)10-11-16-15;1-16-10-4-5-12(14(9-10)18-3)13-8-11(17-2)6-7-15-13;8-6(9)5-3-1-2-4-7-5;2*1-4(6)3-5(2)7;;;;;/h7,9-12H,5-6H2,1-4H3;4*5,7-10H,1-4H3;1-7,9-11H;4,6-9H,1-3H3;1-4H,(H,8,9);2*3,6H,1-2H3;;;;;/q7*-1;;;;;;;2*+2.

What are the key properties of 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid?

2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid has a molecular weight of 3061.88 g/mol, XLogP of 23.06, 30 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-diethylpyridin-4-amine;tetrakis(2-(2,4-dimethoxybenzene-6-id-1-yl)-N,N-dimethylpyridin-4-amine);2-(2,4-dimethoxybenzene-6-id-1-yl)-4-methoxypyridine;bis(4-hydroxypent-3-en-2-one);1-phenylisoquinoline;platinum;bis(platinum(2+));pyridine-2-carboxylic acid is sourced from PubChem (CID 158491072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).