carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium

C22H38MnN5Y- — CID 58292386

About carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium

carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium (PubChem CID 58292386) has the molecular formula C22H38MnN5Y- and a molecular weight of 516.43 g/mol. Its IUPAC name is carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium.

Molecular Properties

• Compound Name: carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium
• PubChem CID: 58292386
• Molecular Formula: C22H38MnN5Y-
• Molecular Weight: 516.43 g/mol
• Exact Mass: 516.16
• IUPAC Name: carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium
• SMILES: [CH3-].[Mn].[Y].c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2
• InChI: InChI=1S/C21H35N5.CH3.Mn.Y/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;1H3;;/q;-1;;/t18-,19-,20-,21-;;;/m0.../s1
• InChIKey: CITRMGCSYYPOSK-NDOCQCNASA-N
• XLogP: 2.52
• TPSA: 61.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.43
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium?

The IUPAC name of carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium (CID 58292386) is carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium.

What is the SMILES notation for carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium?

The canonical SMILES for carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium is [CH3-].[Mn].[Y].c1cc2nc(c1)CN[C@H]1CCCC[C@@H]1NCCN[C@H]1CCCC[C@@H]1NC2.

What is the InChIKey of carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium?

The InChIKey is CITRMGCSYYPOSK-NDOCQCNASA-N. The full InChI is InChI=1S/C21H35N5.CH3.Mn.Y/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;1H3;;/q;-1;;/t18-,19-,20-,21-;;;/m0.../s1.

What are the key properties of carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium?

carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium has a molecular weight of 516.43 g/mol, XLogP of 2.52, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;manganese;(4S,9S,14S,19S)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene;yttrium is sourced from PubChem (CID 58292386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).