7-(carboxyamino)heptyl-triphenylphosphanium bromide

C26H31BrNO2P — CID 135362749

IUPAC7-(carboxyamino)heptyl-triphenylphosphanium bromide
SMILESO=C(O)NCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C26H30NO2P.BrH/c28-26(29)27-21-13-2-1-3-14-22-30(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25;/h4-12,15-20,27H,1-3,13-14,21-22H2;1H
InChIKeyASOACGCKJVZTND-UHFFFAOYSA-N
MW500.42 g/mol
LogP2.20
Rot. Bonds11

About 7-(carboxyamino)heptyl-triphenylphosphanium bromide

7-(carboxyamino)heptyl-triphenylphosphanium bromide (PubChem CID 135362749) has the molecular formula C26H31BrNO2P and a molecular weight of 500.42 g/mol. Its IUPAC name is 7-(carboxyamino)heptyl-triphenylphosphanium bromide.

Molecular Properties

Compound Name7-(carboxyamino)heptyl-triphenylphosphanium bromide
PubChem CID135362749
Molecular FormulaC26H31BrNO2P
Molecular Weight500.42 g/mol
Exact Mass499.13
IUPAC Name7-(carboxyamino)heptyl-triphenylphosphanium bromide
SMILESO=C(O)NCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C26H30NO2P.BrH/c28-26(29)27-21-13-2-1-3-14-22-30(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25;/h4-12,15-20,27H,1-3,13-14,21-22H2;1H
InChIKeyASOACGCKJVZTND-UHFFFAOYSA-N
XLogP2.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
10-[(3,4-dihydroxybenzoyl)amino]decyl-triphenylphosphanium bromide
CID 155520813
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
6-(chloroamino)hexyl-triphenylphosphanium
CID 87551290
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
8-phenyloctylcarbamic acid
CID 90271205
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
4-hydrazinylbutyl(triphenyl)phosphanium
CID 89167956
10-[3-(3,4-dihydroxyphenyl)propanoylamino]decyl-triphenylphosphanium
CID 155518953
N-(2-triphenylphosphaniumylethyl)carbamate
CID 87554015

Frequently Asked Questions

What is the IUPAC name of 7-(carboxyamino)heptyl-triphenylphosphanium bromide?
The IUPAC name of 7-(carboxyamino)heptyl-triphenylphosphanium bromide (CID 135362749) is 7-(carboxyamino)heptyl-triphenylphosphanium bromide.
What is the SMILES notation for 7-(carboxyamino)heptyl-triphenylphosphanium bromide?
The canonical SMILES for 7-(carboxyamino)heptyl-triphenylphosphanium bromide is O=C(O)NCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 7-(carboxyamino)heptyl-triphenylphosphanium bromide?
The InChIKey is ASOACGCKJVZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30NO2P.BrH/c28-26(29)27-21-13-2-1-3-14-22-30(23-15-7-4-8-16-23,24-17-9-5-10-18-24)25-19-11-6-12-20-25;/h4-12,15-20,27H,1-3,13-14,21-22H2;1H.
What are the key properties of 7-(carboxyamino)heptyl-triphenylphosphanium bromide?
7-(carboxyamino)heptyl-triphenylphosphanium bromide has a molecular weight of 500.42 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(carboxyamino)heptyl-triphenylphosphanium bromide is sourced from PubChem (CID 135362749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).