3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol

C22H23N4O3P — CID 14963277

IUPAC3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1cccc(O)c1)P(=O)(c1ccccc1)N(C)/N=C/c1cccc(O)c1
InChIInChI=1S/C22H23N4O3P/c1-25(23-16-18-8-6-10-20(27)14-18)30(29,22-12-4-3-5-13-22)26(2)24-17-19-9-7-11-21(28)15-19/h3-17,27-28H,1-2H3/b23-16+,24-17+
InChIKeyJZMBPXOXPOFQPD-WPHIWBHXSA-N
MW422.43 g/mol
LogP3.85
Rot. Bonds7

About 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol

3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol (PubChem CID 14963277) has the molecular formula C22H23N4O3P and a molecular weight of 422.43 g/mol. Its IUPAC name is 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
PubChem CID14963277
Molecular FormulaC22H23N4O3P
Molecular Weight422.43 g/mol
Exact Mass422.15
IUPAC Name3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol
SMILESCN(/N=C/c1cccc(O)c1)P(=O)(c1ccccc1)N(C)/N=C/c1cccc(O)c1
InChIInChI=1S/C22H23N4O3P/c1-25(23-16-18-8-6-10-20(27)14-18)30(29,22-12-4-3-5-13-22)26(2)24-17-19-9-7-11-21(28)15-19/h3-17,27-28H,1-2H3/b23-16+,24-17+
InChIKeyJZMBPXOXPOFQPD-WPHIWBHXSA-N
XLogP3.85
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
The IUPAC name of 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol (CID 14963277) is 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol.
What is the SMILES notation for 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
The canonical SMILES for 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol is CN(/N=C/c1cccc(O)c1)P(=O)(c1ccccc1)N(C)/N=C/c1cccc(O)c1.
What is the InChIKey of 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
The InChIKey is JZMBPXOXPOFQPD-WPHIWBHXSA-N. The full InChI is InChI=1S/C22H23N4O3P/c1-25(23-16-18-8-6-10-20(27)14-18)30(29,22-12-4-3-5-13-22)26(2)24-17-19-9-7-11-21(28)15-19/h3-17,27-28H,1-2H3/b23-16+,24-17+.
What are the key properties of 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol?
3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol has a molecular weight of 422.43 g/mol, XLogP of 3.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-[[[[(E)-(3-hydroxyphenyl)methylideneamino]-methylamino]-phenylphosphoryl]-methylhydrazinylidene]methyl]phenol is sourced from PubChem (CID 14963277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).