[2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid

C24H27N8O3P — CID 14953742

About [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid

[2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid (PubChem CID 14953742) has the molecular formula C24H27N8O3P and a molecular weight of 506.51 g/mol. Its IUPAC name is [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid.

Molecular Properties

• Compound Name: [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid
• PubChem CID: 14953742
• Molecular Formula: C24H27N8O3P
• Molecular Weight: 506.51 g/mol
• Exact Mass: 506.19
• IUPAC Name: [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid
• SMILES: CCN(/N=C/c1c2ccccc2c(/C=N/NC2=NCCN2P(=O)(O)O)c2ccccc12)C1=NCCN1
• InChI: InChI=1S/C24H27N8O3P/c1-2-31(23-25-11-12-26-23)29-16-22-19-9-5-3-7-17(19)21(18-8-4-6-10-20(18)22)15-28-30-24-27-13-14-32(24)36(33,34)35/h3-10,15-16H,2,11-14H2,1H3,(H,25,26)(H,27,30)(H2,33,34,35)/b28-15+,29-16+
• InChIKey: PWDVMSHGDVOTJT-QSXCDPBRSA-N
• XLogP: 2.30
• TPSA: 137.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.51
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?

The IUPAC name of [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid (CID 14953742) is [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid.

What is the SMILES notation for [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?

The canonical SMILES for [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid is CCN(/N=C/c1c2ccccc2c(/C=N/NC2=NCCN2P(=O)(O)O)c2ccccc12)C1=NCCN1.

What is the InChIKey of [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?

The InChIKey is PWDVMSHGDVOTJT-QSXCDPBRSA-N. The full InChI is InChI=1S/C24H27N8O3P/c1-2-31(23-25-11-12-26-23)29-16-22-19-9-5-3-7-17(19)21(18-8-4-6-10-20(18)22)15-28-30-24-27-13-14-32(24)36(33,34)35/h3-10,15-16H,2,11-14H2,1H3,(H,25,26)(H,27,30)(H2,33,34,35)/b28-15+,29-16+.

What are the key properties of [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?

[2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid has a molecular weight of 506.51 g/mol, XLogP of 2.30, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2E)-2-[[10-[(E)-[4,5-dihydro-1H-imidazol-2-yl(ethyl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid is sourced from PubChem (CID 14953742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).