(4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate

C32H41F7NO8P — CID 11104565

IUPAC(4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Fc1ccc(C[NH2+]Cc2ccc3c(c2)OCCOCCOCCOc2ccccc2OCCOCCOCCO3)cc1
InChIInChI=1S/C32H40FNO8.F6P/c33-28-8-5-26(6-9-28)24-34-25-27-7-10-31-32(23-27)42-22-18-38-14-13-36-16-20-40-30-4-2-1-3-29(30)39-19-15-35-11-12-37-17-21-41-31;1-7(2,3,4,5)6/h1-10,23,34H,11-22,24-25H2;/q;-1/p+1
InChIKeyPUNFXHOAVLESIJ-UHFFFAOYSA-O
MW731.64 g/mol
LogP6.77
Rot. Bonds4

About (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate

(4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate (PubChem CID 11104565) has the molecular formula C32H41F7NO8P and a molecular weight of 731.64 g/mol. Its IUPAC name is (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate
PubChem CID11104565
Molecular FormulaC32H41F7NO8P
Molecular Weight731.64 g/mol
Exact Mass731.25
IUPAC Name(4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Fc1ccc(C[NH2+]Cc2ccc3c(c2)OCCOCCOCCOc2ccccc2OCCOCCOCCO3)cc1
InChIInChI=1S/C32H40FNO8.F6P/c33-28-8-5-26(6-9-28)24-34-25-27-7-10-31-32(23-27)42-22-18-38-14-13-36-16-20-40-30-4-2-1-3-29(30)39-19-15-35-11-12-37-17-21-41-31;1-7(2,3,4,5)6/h1-10,23,34H,11-22,24-25H2;/q;-1/p+1
InChIKeyPUNFXHOAVLESIJ-UHFFFAOYSA-O
XLogP6.77
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.64
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(benzyloxy)-4-methoxybenzyl]-2-(2-methoxyphenyl)ethanamine
CID 2169010
N-(3,3,-Diphenylpropyl)-N'-[1-R-(2 3,4-bis-butoxyphenyl)-ethyl]-propylenediamine
CID 5496861
N-benzyl-N-[4-(benzyloxy)-3-methoxybenzyl]ethanamine
CID 1376413
1-benzyl-N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 10202030
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)ethanamine
CID 2250212
(4-Methoxybenzyl)(3-phenoxybenzyl)amine
CID 776996
N-[4-(benzyloxy)-3-methoxybenzyl]-2-(3,4-dimethoxyphenyl)-N-methylethanamine
CID 1376406
N-[4-(benzyloxy)-3-methoxybenzyl]-N-methyl-2-phenylethanamine
CID 1378292
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-3-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 2965343
1-N,1-N-diethyl-4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
CID 3950255
(3,4-Dimethoxy-benzyl)-[3-(4-fluoro-phenyl)-3-(4-isopropoxy-phenyl)-propyl]-amine
CID 4024466
N-{4-[(2-fluorobenzyl)oxy]-3-methoxybenzyl}ethanamine hydrochloride
CID 6463673

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate?
The IUPAC name of (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate (CID 11104565) is (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate.
What is the SMILES notation for (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate?
The canonical SMILES for (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate is F[P-](F)(F)(F)(F)F.Fc1ccc(C[NH2+]Cc2ccc3c(c2)OCCOCCOCCOc2ccccc2OCCOCCOCCO3)cc1.
What is the InChIKey of (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate?
The InChIKey is PUNFXHOAVLESIJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H40FNO8.F6P/c33-28-8-5-26(6-9-28)24-34-25-27-7-10-31-32(23-27)42-22-18-38-14-13-36-16-20-40-30-4-2-1-3-29(30)39-19-15-35-11-12-37-17-21-41-31;1-7(2,3,4,5)6/h1-10,23,34H,11-22,24-25H2;/q;-1/p+1.
What are the key properties of (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate?
(4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate has a molecular weight of 731.64 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl-(2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12(17),13,15,28,30-hexaen-14-ylmethyl)azanium hexafluorophosphate is sourced from PubChem (CID 11104565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).