methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium

C22H22N2P+ — CID 130383373

IUPACmethyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium
SMILESC=N/N=C(\C)c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2P/c1-18(24-23-2)21-16-10-11-17-22(21)25(3,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2H2,1,3H3/q+1/b24-18+
InChIKeyXJHYUSRTTSNZHU-HKOYGPOVSA-N
MW345.41 g/mol
LogP4.03
Rot. Bonds5

About methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium

methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium (PubChem CID 130383373) has the molecular formula C22H22N2P+ and a molecular weight of 345.41 g/mol. Its IUPAC name is methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium.

Molecular Properties

Compound Namemethyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium
PubChem CID130383373
Molecular FormulaC22H22N2P+
Molecular Weight345.41 g/mol
Exact Mass345.15
IUPAC Namemethyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium
SMILESC=N/N=C(\C)c1ccccc1[P+](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H22N2P/c1-18(24-23-2)21-16-10-11-17-22(21)25(3,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2H2,1,3H3/q+1/b24-18+
InChIKeyXJHYUSRTTSNZHU-HKOYGPOVSA-N
XLogP4.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium?
The IUPAC name of methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium (CID 130383373) is methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium.
What is the SMILES notation for methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium?
The canonical SMILES for methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium is C=N/N=C(\C)c1ccccc1[P+](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium?
The InChIKey is XJHYUSRTTSNZHU-HKOYGPOVSA-N. The full InChI is InChI=1S/C22H22N2P/c1-18(24-23-2)21-16-10-11-17-22(21)25(3,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,2H2,1,3H3/q+1/b24-18+.
What are the key properties of methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium?
methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium has a molecular weight of 345.41 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-[(E)-C-methyl-N-(methylideneamino)carbonimidoyl]phenyl]-diphenylphosphanium is sourced from PubChem (CID 130383373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).