(N-methylanilino)-triphenylphosphanium iodide

C25H23INP — CID 2828347

IUPAC(N-methylanilino)-triphenylphosphanium iodide
SMILESCN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H23NP.HI/c1-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3;1H/q+1;/p-1
InChIKeySAYKZWPCENNSDR-UHFFFAOYSA-M
MW495.34 g/mol
LogP2.04
Rot. Bonds5

About (N-methylanilino)-triphenylphosphanium iodide

(N-methylanilino)-triphenylphosphanium iodide (PubChem CID 2828347) has the molecular formula C25H23INP and a molecular weight of 495.34 g/mol. Its IUPAC name is (N-methylanilino)-triphenylphosphanium iodide.

Molecular Properties

Compound Name(N-methylanilino)-triphenylphosphanium iodide
PubChem CID2828347
Molecular FormulaC25H23INP
Molecular Weight495.34 g/mol
Exact Mass495.06
IUPAC Name(N-methylanilino)-triphenylphosphanium iodide
SMILESCN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C25H23NP.HI/c1-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3;1H/q+1;/p-1
InChIKeySAYKZWPCENNSDR-UHFFFAOYSA-M
XLogP2.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (N-methylanilino)-triphenylphosphanium iodide?
The IUPAC name of (N-methylanilino)-triphenylphosphanium iodide (CID 2828347) is (N-methylanilino)-triphenylphosphanium iodide.
What is the SMILES notation for (N-methylanilino)-triphenylphosphanium iodide?
The canonical SMILES for (N-methylanilino)-triphenylphosphanium iodide is CN(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of (N-methylanilino)-triphenylphosphanium iodide?
The InChIKey is SAYKZWPCENNSDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H23NP.HI/c1-26(22-14-6-2-7-15-22)27(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h2-21H,1H3;1H/q+1;/p-1.
What are the key properties of (N-methylanilino)-triphenylphosphanium iodide?
(N-methylanilino)-triphenylphosphanium iodide has a molecular weight of 495.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-methylanilino)-triphenylphosphanium iodide is sourced from PubChem (CID 2828347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).