bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate

C90H96Cl8N20O19Pt2Ru2 — CID 139250774

About bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate

bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate (PubChem CID 139250774) has the molecular formula C90H96Cl8N20O19Pt2Ru2 and a molecular weight of 2637.80 g/mol. Its IUPAC name is bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate.

Molecular Properties

• Compound Name: bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate
• PubChem CID: 139250774
• Molecular Formula: C90H96Cl8N20O19Pt2Ru2
• Molecular Weight: 2637.80 g/mol
• Exact Mass: 2634.21
• IUPAC Name: bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate
• SMILES: Cl[Pt]Cl.Cl[Pt]Cl.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=C(NCCNC(=O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C50H34N12O4.4C10H8N2.8ClH.15H2O.2Pt.2Ru/c63-47(31-9-17-51-39(25-31)41-27-33(11-19-53-41)49(65)61-37-23-29-5-1-13-55-43(29)45-35(37)7-3-15-57-45)59-21-22-60-48(64)32-10-18-52-40(26-32)42-28-34(12-20-54-42)50(66)62-38-24-30-6-2-14-56-44(30)46-36(38)8-4-16-58-46;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-20,23-28H,21-22H2,(H,59,63)(H,60,64)(H,61,65)(H,62,66);4*1-8H;8*1H;15*1H2;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+2/p-8
• InChIKey: RSIORHKPIZGRRH-UHFFFAOYSA-F
• XLogP: -5.57
• TPSA: 795.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2637.80
LogP ≤ 5	-5.57
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate?

The IUPAC name of bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate (CID 139250774) is bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate.

What is the SMILES notation for bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate?

The canonical SMILES for bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate is Cl[Pt]Cl.Cl[Pt]Cl.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=C(NCCNC(=O)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1)c1ccnc(-c2cc(C(=O)Nc3cc4cccnc4c4ncccc34)ccn2)c1.[Cl-].[Cl-].[Cl-].[Cl-].[Ru+2].[Ru+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

What is the InChIKey of bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate?

The InChIKey is RSIORHKPIZGRRH-UHFFFAOYSA-F. The full InChI is InChI=1S/C50H34N12O4.4C10H8N2.8ClH.15H2O.2Pt.2Ru/c63-47(31-9-17-51-39(25-31)41-27-33(11-19-53-41)49(65)61-37-23-29-5-1-13-55-43(29)45-35(37)7-3-15-57-45)59-21-22-60-48(64)32-10-18-52-40(26-32)42-28-34(12-20-54-42)50(66)62-38-24-30-6-2-14-56-44(30)46-36(38)8-4-16-58-46;4*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-20,23-28H,21-22H2,(H,59,63)(H,60,64)(H,61,65)(H,62,66);4*1-8H;8*1H;15*1H2;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;4*+2/p-8.

What are the key properties of bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate?

bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate has a molecular weight of 2637.80 g/mol, XLogP of -5.57, 15 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dichloroplatinum);2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]-N-[2-[[2-[4-(1,10-phenanthrolin-5-ylcarbamoyl)-2-pyridinyl]pyridine-4-carbonyl]amino]ethyl]pyridine-4-carboxamide;tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrachloride;pentadecahydrate is sourced from PubChem (CID 139250774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).