[(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium

C21H22N5P — CID 176622991

IUPAC[(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium
SMILESNC(N)=N/C(N)=N/C[P+](c1[c-]cccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N5P/c22-20(23)26-21(24)25-16-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-14H,16H2,(H6,22,23,24,25,26)
InChIKeyBQDAAXAWLCNXTK-UHFFFAOYSA-N
MW375.42 g/mol
LogP1.33
Rot. Bonds5

About [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium

[(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium (PubChem CID 176622991) has the molecular formula C21H22N5P and a molecular weight of 375.42 g/mol. Its IUPAC name is [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium.

Molecular Properties

Compound Name[(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium
PubChem CID176622991
Molecular FormulaC21H22N5P
Molecular Weight375.42 g/mol
Exact Mass375.16
IUPAC Name[(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium
SMILESNC(N)=N/C(N)=N/C[P+](c1[c-]cccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22N5P/c22-20(23)26-21(24)25-16-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-14H,16H2,(H6,22,23,24,25,26)
InChIKeyBQDAAXAWLCNXTK-UHFFFAOYSA-N
XLogP1.33
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium?
The IUPAC name of [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium (CID 176622991) is [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium.
What is the SMILES notation for [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium?
The canonical SMILES for [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium is NC(N)=N/C(N)=N/C[P+](c1[c-]cccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium?
The InChIKey is BQDAAXAWLCNXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N5P/c22-20(23)26-21(24)25-16-27(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-14H,16H2,(H6,22,23,24,25,26).
What are the key properties of [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium?
[(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium has a molecular weight of 375.42 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-(diaminomethylideneamino)methylidene]amino]methyl-diphenyl-phenylphosphanium is sourced from PubChem (CID 176622991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).