(E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate

C52H34N10O10Pb2 — CID 139207244

About (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate

(E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate (PubChem CID 139207244) has the molecular formula C52H34N10O10Pb2 and a molecular weight of 1373.30 g/mol. Its IUPAC name is (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate.

Molecular Properties

• Compound Name: (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate
• PubChem CID: 139207244
• Molecular Formula: C52H34N10O10Pb2
• Molecular Weight: 1373.30 g/mol
• Exact Mass: 1374.20
• IUPAC Name: (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate
• SMILES: O=C([O-])/C=C/C(=O)[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].[Pb+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
• InChI: InChI=1S/4C12H8N2.C4H4O4.2NO3.2Pb/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-3(6)1-2-4(7)8;2*2-1(3)4;;/h4*1-8H;1-2H,(H,5,6)(H,7,8);;;;/q;;;;;2*-1;2*+2/p-2/b;;;;2-1+
• InChIKey: GJDDHQIEHFAYPI-FJLHUNFHSA-L
• XLogP: 6.93
• TPSA: 315.78 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 2
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1373.30
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate?

The IUPAC name of (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate (CID 139207244) is (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate.

What is the SMILES notation for (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate?

The canonical SMILES for (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate is O=C([O-])/C=C/C(=O)[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Pb+2].[Pb+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.

What is the InChIKey of (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate?

The InChIKey is GJDDHQIEHFAYPI-FJLHUNFHSA-L. The full InChI is InChI=1S/4C12H8N2.C4H4O4.2NO3.2Pb/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;5-3(6)1-2-4(7)8;2*2-1(3)4;;/h4*1-8H;1-2H,(H,5,6)(H,7,8);;;;/q;;;;;2*-1;2*+2/p-2/b;;;;2-1+;;;;.

What are the key properties of (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate?

(E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate has a molecular weight of 1373.30 g/mol, XLogP of 6.93, 2 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-but-2-enedioate;bis(lead(2+));tetrakis(1,10-phenanthroline);dinitrate is sourced from PubChem (CID 139207244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).