9H-fluoren-9-yl(triphenyl)phosphanium bromide

C31H24BrP — CID 18702719

IUPAC9H-fluoren-9-yl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H24P.BrH/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)31;/h1-23,31H;1H/q+1;/p-1
InChIKeyBHNPKGAMAZKCCJ-UHFFFAOYSA-M
MW507.41 g/mol
LogP3.75
Rot. Bonds4

About 9H-fluoren-9-yl(triphenyl)phosphanium bromide

9H-fluoren-9-yl(triphenyl)phosphanium bromide (PubChem CID 18702719) has the molecular formula C31H24BrP and a molecular weight of 507.41 g/mol. Its IUPAC name is 9H-fluoren-9-yl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name9H-fluoren-9-yl(triphenyl)phosphanium bromide
PubChem CID18702719
Molecular FormulaC31H24BrP
Molecular Weight507.41 g/mol
Exact Mass506.08
IUPAC Name9H-fluoren-9-yl(triphenyl)phosphanium bromide
SMILES[Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C31H24P.BrH/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)31;/h1-23,31H;1H/q+1;/p-1
InChIKeyBHNPKGAMAZKCCJ-UHFFFAOYSA-M
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.41
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl(triphenyl)phosphanium bromide?
The IUPAC name of 9H-fluoren-9-yl(triphenyl)phosphanium bromide (CID 18702719) is 9H-fluoren-9-yl(triphenyl)phosphanium bromide.
What is the SMILES notation for 9H-fluoren-9-yl(triphenyl)phosphanium bromide?
The canonical SMILES for 9H-fluoren-9-yl(triphenyl)phosphanium bromide is [Br-].c1ccc([P+](c2ccccc2)(c2ccccc2)C2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-yl(triphenyl)phosphanium bromide?
The InChIKey is BHNPKGAMAZKCCJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H24P.BrH/c1-4-14-24(15-5-1)32(25-16-6-2-7-17-25,26-18-8-3-9-19-26)31-29-22-12-10-20-27(29)28-21-11-13-23-30(28)31;/h1-23,31H;1H/q+1;/p-1.
What are the key properties of 9H-fluoren-9-yl(triphenyl)phosphanium bromide?
9H-fluoren-9-yl(triphenyl)phosphanium bromide has a molecular weight of 507.41 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl(triphenyl)phosphanium bromide is sourced from PubChem (CID 18702719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).