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

C22H24N8O6P2 — CID 14953738

IUPAC[2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid
SMILESO=P(O)(O)N1CCN=C1N/N=C/c1c2ccccc2c(/C=N/NC2=NCCN2P(=O)(O)O)c2ccccc12
InChIInChI=1S/C22H24N8O6P2/c31-37(32,33)29-11-9-23-21(29)27-25-13-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)14-26-28-22-24-10-12-30(22)38(34,35)36/h1-8,13-14H,9-12H2,(H,23,27)(H,24,28)(H2,31,32,33)(H2,34,35,36)/b25-13+,26-14+
InChIKeyUMMMRTHJSJHQLD-BKHCZYBLSA-N
MW558.43 g/mol
LogP1.37
Rot. Bonds6

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

[2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid (PubChem CID 14953738) has the molecular formula C22H24N8O6P2 and a molecular weight of 558.43 g/mol. Its IUPAC name is [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid.

Molecular Properties

Compound Name[2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid
PubChem CID14953738
Molecular FormulaC22H24N8O6P2
Molecular Weight558.43 g/mol
Exact Mass558.13
IUPAC Name[2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid
SMILESO=P(O)(O)N1CCN=C1N/N=C/c1c2ccccc2c(/C=N/NC2=NCCN2P(=O)(O)O)c2ccccc12
InChIInChI=1S/C22H24N8O6P2/c31-37(32,33)29-11-9-23-21(29)27-25-13-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)14-26-28-22-24-10-12-30(22)38(34,35)36/h1-8,13-14H,9-12H2,(H,23,27)(H,24,28)(H2,31,32,33)(H2,34,35,36)/b25-13+,26-14+
InChIKeyUMMMRTHJSJHQLD-BKHCZYBLSA-N
XLogP1.37
TPSA195.04 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.43
LogP ≤ 51.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?
The IUPAC name of [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid (CID 14953738) is [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)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)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?
The canonical SMILES for [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid is O=P(O)(O)N1CCN=C1N/N=C/c1c2ccccc2c(/C=N/NC2=NCCN2P(=O)(O)O)c2ccccc12.
What is the InChIKey of [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?
The InChIKey is UMMMRTHJSJHQLD-BKHCZYBLSA-N. The full InChI is InChI=1S/C22H24N8O6P2/c31-37(32,33)29-11-9-23-21(29)27-25-13-19-15-5-1-2-6-16(15)20(18-8-4-3-7-17(18)19)14-26-28-22-24-10-12-30(22)38(34,35)36/h1-8,13-14H,9-12H2,(H,23,27)(H,24,28)(H2,31,32,33)(H2,34,35,36)/b25-13+,26-14+.
What are the key properties of [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid?
[2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid has a molecular weight of 558.43 g/mol, XLogP of 1.37, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2E)-2-[[10-[(E)-[(1-phosphono-4,5-dihydroimidazol-2-yl)hydrazinylidene]methyl]anthracen-9-yl]methylidene]hydrazinyl]-4,5-dihydroimidazol-1-yl]phosphonic acid is sourced from PubChem (CID 14953738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).