4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)

C24H20N4O4Rf2-2 — CID 58059829

About 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)

4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium) (PubChem CID 58059829) has the molecular formula C24H20N4O4Rf2-2 and a molecular weight of 962.45 g/mol. Its IUPAC name is 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium).

Molecular Properties

• Compound Name: 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)
• PubChem CID: 58059829
• Molecular Formula: C24H20N4O4Rf2-2
• Molecular Weight: 962.45 g/mol
• Exact Mass: 962.39
• IUPAC Name: 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)
• SMILES: [CH2-]Oc1ccc(Cc2nc(Nc3ccc(O[CH2-])cc3)nc(-c3ccc(O)cc3O)n2)cc1.[Rf].[Rf]
• InChI: InChI=1S/C24H20N4O4.2Rf/c1-31-18-8-3-15(4-9-18)13-22-26-23(20-12-7-17(29)14-21(20)30)28-24(27-22)25-16-5-10-19(32-2)11-6-16;;/h3-12,14,29-30H,1-2,13H2,(H,25,26,27,28);;/q-2
• InChIKey: PMDVNTHMYPQTQQ-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 109.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	962.45
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)?

The IUPAC name of 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium) (CID 58059829) is 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium).

What is the SMILES notation for 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)?

The canonical SMILES for 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium) is [CH2-]Oc1ccc(Cc2nc(Nc3ccc(O[CH2-])cc3)nc(-c3ccc(O)cc3O)n2)cc1.[Rf].[Rf].

What is the InChIKey of 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)?

The InChIKey is PMDVNTHMYPQTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4.2Rf/c1-31-18-8-3-15(4-9-18)13-22-26-23(20-12-7-17(29)14-21(20)30)28-24(27-22)25-16-5-10-19(32-2)11-6-16;;/h3-12,14,29-30H,1-2,13H2,(H,25,26,27,28);;/q-2;;.

What are the key properties of 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium)?

4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium) has a molecular weight of 962.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-methanidyloxyanilino)-6-[(4-methanidyloxyphenyl)methyl]-1,3,5-triazin-2-yl]benzene-1,3-diol;bis(rutherfordium) is sourced from PubChem (CID 58059829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).