pentanoate;triphenylazanium

C23H25NO2 — CID 139301485

IUPACpentanoate;triphenylazanium
SMILESCCCCC(=O)[O-].c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C5H10O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5(6)7/h1-15H;2-4H2,1H3,(H,6,7)
InChIKeyKPGJTDQXTNQLBE-UHFFFAOYSA-N
MW347.46 g/mol
LogP3.79
Rot. Bonds6

About pentanoate;triphenylazanium

pentanoate;triphenylazanium (PubChem CID 139301485) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is pentanoate;triphenylazanium.

Molecular Properties

Compound Namepentanoate;triphenylazanium
PubChem CID139301485
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Namepentanoate;triphenylazanium
SMILESCCCCC(=O)[O-].c1ccc([NH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15N.C5H10O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5(6)7/h1-15H;2-4H2,1H3,(H,6,7)
InChIKeyKPGJTDQXTNQLBE-UHFFFAOYSA-N
XLogP3.79
TPSA44.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

hexanoate;triphenylazanium
CID 139301475
pentanoate;phenylazanium
CID 139301604
decanoate;phenylmercury(1+)
CID 70457724
heptanoate;triphenylsulfanium
CID 87067214
phenylazanium;undecanoate
CID 139301589
tris(pentanoate);rhodium(3+)
CID 51036063
barium(2+);bis(pentanoate)
CID 14619942
iodanium pentanoate
CID 87769963
azanium tris(pentanoate)
CID 21124108
gallium tris(pentanoate)
CID 173230335
gold(3+);tris(pentanoate)
CID 157094863
dialuminum;tris(octadecanoate);tribenzoate
CID 18366499

Frequently Asked Questions

What is the IUPAC name of pentanoate;triphenylazanium?
The IUPAC name of pentanoate;triphenylazanium (CID 139301485) is pentanoate;triphenylazanium.
What is the SMILES notation for pentanoate;triphenylazanium?
The canonical SMILES for pentanoate;triphenylazanium is CCCCC(=O)[O-].c1ccc([NH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of pentanoate;triphenylazanium?
The InChIKey is KPGJTDQXTNQLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N.C5H10O2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-4-5(6)7/h1-15H;2-4H2,1H3,(H,6,7).
What are the key properties of pentanoate;triphenylazanium?
pentanoate;triphenylazanium has a molecular weight of 347.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoate;triphenylazanium is sourced from PubChem (CID 139301485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).