bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)

C48H72Co2N6O29V6-30 — CID 139144132

About bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)

bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium) (PubChem CID 139144132) has the molecular formula C48H72Co2N6O29V6-30 and a molecular weight of 1620.65 g/mol. Its IUPAC name is bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium).

Molecular Properties

• Compound Name: bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)
• PubChem CID: 139144132
• Molecular Formula: C48H72Co2N6O29V6-30
• Molecular Weight: 1620.65 g/mol
• Exact Mass: 1619.98
• IUPAC Name: bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)
• SMILES: CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CC(=O)/C=C(/C)[O-].CO.CO.C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].[V].[V].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1
• InChI: InChI=1S/2C10H9N3.4C5H8O2.2CH4O.6CH3O.2Co.13O.6V/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;4*1-4(6)3-5(2)7;8*1-2;;;;;;;;;;;;;;;;;;;;;/h2*1-8H,(H,11,12,13);4*3,6H,1-2H3;2*2H,1H3;6*1H3;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;6*-1;2*+3;13*-2;;;;;;/p-4/b;;4*4-3-
• InChIKey: LVFUHNPADJBBOQ-QXAXAUHHSA-J
• XLogP: -4.69
• TPSA: 785.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1620.65
LogP ≤ 5	-4.69
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)?

The IUPAC name of bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium) (CID 139144132) is bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium).

What is the SMILES notation for bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)?

The canonical SMILES for bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium) 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-].CO.CO.C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[Co+3].[Co+3].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[V].[V].[V].[V].[V].[V].c1ccc(Nc2ccccn2)nc1.c1ccc(Nc2ccccn2)nc1.

What is the InChIKey of bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)?

The InChIKey is LVFUHNPADJBBOQ-QXAXAUHHSA-J. The full InChI is InChI=1S/2C10H9N3.4C5H8O2.2CH4O.6CH3O.2Co.13O.6V/c2*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;4*1-4(6)3-5(2)7;8*1-2;;;;;;;;;;;;;;;;;;;;;/h2*1-8H,(H,11,12,13);4*3,6H,1-2H3;2*2H,1H3;6*1H3;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;6*-1;2*+3;13*-2;;;;;;/p-4/b;;4*4-3-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium)?

bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium) has a molecular weight of 1620.65 g/mol, XLogP of -4.69, 8 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cobalt(3+));methanol;methanolate;tetrakis((Z)-4-oxopent-2-en-2-olate);tridecakis(oxygen(2-));bis(N-pyridin-2-ylpyridin-2-amine);hexakis(vanadium) is sourced from PubChem (CID 139144132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).