4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)

C40H36N5O5Rf3-3 — CID 58059762

IUPAC4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)
SMILES[CH2-]Oc1ccc(OCc2ccccc2)cc1Cc1nc(Nc2cc(C)ccc2O[CH2-])nc(Nc2cc(OCc3ccccc3)ccc2O[CH2-])n1.[Rf].[Rf].[Rf]
InChIInChI=1S/C40H36N5O5.3Rf/c1-27-15-18-36(47-3)33(21-27)41-39-43-38(23-30-22-31(16-19-35(30)46-2)49-25-28-11-7-5-8-12-28)44-40(45-39)42-34-24-32(17-20-37(34)48-4)50-26-29-13-9-6-10-14-29;;;/h5-22,24H,2-4,23,25-26H2,1H3,(H2,41,42,43,44,45);;;/q-3;;;
InChIKeyRFXISDOCCDENHY-UHFFFAOYSA-N
MW1467.76 g/mol
LogP8.93
Rot. Bonds15

About 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)

4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium) (PubChem CID 58059762) has the molecular formula C40H36N5O5Rf3-3 and a molecular weight of 1467.76 g/mol. Its IUPAC name is 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium).

Molecular Properties

Compound Name4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)
PubChem CID58059762
Molecular FormulaC40H36N5O5Rf3-3
Molecular Weight1467.76 g/mol
Exact Mass1467.64
IUPAC Name4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)
SMILES[CH2-]Oc1ccc(OCc2ccccc2)cc1Cc1nc(Nc2cc(C)ccc2O[CH2-])nc(Nc2cc(OCc3ccccc3)ccc2O[CH2-])n1.[Rf].[Rf].[Rf]
InChIInChI=1S/C40H36N5O5.3Rf/c1-27-15-18-36(47-3)33(21-27)41-39-43-38(23-30-22-31(16-19-35(30)46-2)49-25-28-11-7-5-8-12-28)44-40(45-39)42-34-24-32(17-20-37(34)48-4)50-26-29-13-9-6-10-14-29;;;/h5-22,24H,2-4,23,25-26H2,1H3,(H2,41,42,43,44,45);;;/q-3;;;
InChIKeyRFXISDOCCDENHY-UHFFFAOYSA-N
XLogP8.93
TPSA108.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001467.76
LogP ≤ 58.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)?
The IUPAC name of 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium) (CID 58059762) is 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium).
What is the SMILES notation for 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)?
The canonical SMILES for 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium) is [CH2-]Oc1ccc(OCc2ccccc2)cc1Cc1nc(Nc2cc(C)ccc2O[CH2-])nc(Nc2cc(OCc3ccccc3)ccc2O[CH2-])n1.[Rf].[Rf].[Rf].
What is the InChIKey of 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)?
The InChIKey is RFXISDOCCDENHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N5O5.3Rf/c1-27-15-18-36(47-3)33(21-27)41-39-43-38(23-30-22-31(16-19-35(30)46-2)49-25-28-11-7-5-8-12-28)44-40(45-39)42-34-24-32(17-20-37(34)48-4)50-26-29-13-9-6-10-14-29;;;/h5-22,24H,2-4,23,25-26H2,1H3,(H2,41,42,43,44,45);;;/q-3;;;.
What are the key properties of 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium)?
4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium) has a molecular weight of 1467.76 g/mol, XLogP of 8.93, 15 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methanidyloxy-5-methylphenyl)-2-N-(2-methanidyloxy-5-phenylmethoxyphenyl)-6-[(2-methanidyloxy-5-phenylmethoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine;tris(rutherfordium) is sourced from PubChem (CID 58059762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).