9H-fluorene;methyl(triphenyl)phosphanium;iodide

C32H28IP — CID 174597784

IUPAC9H-fluorene;methyl(triphenyl)phosphanium;iodide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H18P.C13H10.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-16H,1H3;1-8H,9H2;1H/q+1;;/p-1
InChIKeyYGXGBDAXRGDZTB-UHFFFAOYSA-M
MW570.45 g/mol
LogP3.87
Rot. Bonds3

About 9H-fluorene;methyl(triphenyl)phosphanium;iodide

9H-fluorene;methyl(triphenyl)phosphanium;iodide (PubChem CID 174597784) has the molecular formula C32H28IP and a molecular weight of 570.45 g/mol. Its IUPAC name is 9H-fluorene;methyl(triphenyl)phosphanium;iodide.

Molecular Properties

Compound Name9H-fluorene;methyl(triphenyl)phosphanium;iodide
PubChem CID174597784
Molecular FormulaC32H28IP
Molecular Weight570.45 g/mol
Exact Mass570.10
IUPAC Name9H-fluorene;methyl(triphenyl)phosphanium;iodide
SMILESC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C19H18P.C13H10.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-16H,1H3;1-8H,9H2;1H/q+1;;/p-1
InChIKeyYGXGBDAXRGDZTB-UHFFFAOYSA-M
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.45
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 9H-fluorene;methyl(triphenyl)phosphanium;iodide?
The IUPAC name of 9H-fluorene;methyl(triphenyl)phosphanium;iodide (CID 174597784) is 9H-fluorene;methyl(triphenyl)phosphanium;iodide.
What is the SMILES notation for 9H-fluorene;methyl(triphenyl)phosphanium;iodide?
The canonical SMILES for 9H-fluorene;methyl(triphenyl)phosphanium;iodide is C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;methyl(triphenyl)phosphanium;iodide?
The InChIKey is YGXGBDAXRGDZTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18P.C13H10.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h2-16H,1H3;1-8H,9H2;1H/q+1;;/p-1.
What are the key properties of 9H-fluorene;methyl(triphenyl)phosphanium;iodide?
9H-fluorene;methyl(triphenyl)phosphanium;iodide has a molecular weight of 570.45 g/mol, XLogP of 3.87, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;methyl(triphenyl)phosphanium;iodide is sourced from PubChem (CID 174597784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).