bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate

C62H66Cl2Mn2N14O12 — CID 139147282

About bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate

bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate (PubChem CID 139147282) has the molecular formula C62H66Cl2Mn2N14O12 and a molecular weight of 1380.08 g/mol. Its IUPAC name is bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate.

Molecular Properties

• Compound Name: bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate
• PubChem CID: 139147282
• Molecular Formula: C62H66Cl2Mn2N14O12
• Molecular Weight: 1380.08 g/mol
• Exact Mass: 1378.31
• IUPAC Name: bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate
• SMILES: CC#N.CC#N.C[C@@H](CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1.C[C@H](CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1.O=C([O-])C#CC(=O)[O-].[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-]
• InChI: InChI=1S/2C27H30N6.C4H2O4.2C2H3N.2ClHO4.2Mn/c2*1-23(33(21-26-12-4-8-16-30-26)22-27-13-5-9-17-31-27)18-32(19-24-10-2-6-14-28-24)20-25-11-3-7-15-29-25;5-3(6)1-2-4(7)8;2*1-2-3;2*2-1(3,4)5;;/h2*2-17,23H,18-22H2,1H3;(H,5,6)(H,7,8);2*1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/t2*23-;;;;;;;/m10......./s1
• InChIKey: QBMRCCLMERKIQH-SMTLYUCNSA-J
• XLogP: -3.25
• TPSA: 428.40 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1380.08
LogP ≤ 5	-3.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate?

The IUPAC name of bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate (CID 139147282) is bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate.

What is the SMILES notation for bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate?

The canonical SMILES for bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate is CC#N.CC#N.C[C@@H](CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1.C[C@H](CN(Cc1ccccn1)Cc1ccccn1)N(Cc1ccccn1)Cc1ccccn1.O=C([O-])C#CC(=O)[O-].[Mn+2].[Mn+2].[O-][Cl+3]([O-])([O-])[O-].[O-][Cl+3]([O-])([O-])[O-].

What is the InChIKey of bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate?

The InChIKey is QBMRCCLMERKIQH-SMTLYUCNSA-J. The full InChI is InChI=1S/2C27H30N6.C4H2O4.2C2H3N.2ClHO4.2Mn/c2*1-23(33(21-26-12-4-8-16-30-26)22-27-13-5-9-17-31-27)18-32(19-24-10-2-6-14-28-24)20-25-11-3-7-15-29-25;5-3(6)1-2-4(7)8;2*1-2-3;2*2-1(3,4)5;;/h2*2-17,23H,18-22H2,1H3;(H,5,6)(H,7,8);2*1H3;2*(H,2,3,4,5);;/q;;;;;;;2*+2/p-4/t2*23-;;;;;;;/m10......./s1.

What are the key properties of bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate?

bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate has a molecular weight of 1380.08 g/mol, XLogP of -3.25, 22 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for bis(acetonitrile);but-2-ynedioate;bis(manganese(2+));(2R)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;(2S)-1-N,1-N,2-N,2-N-tetrakis(pyridin-2-ylmethyl)propane-1,2-diamine;diperchlorate is sourced from PubChem (CID 139147282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).