benzyl(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

C32H42F6NO8P — CID 11115225

IUPACbenzyl(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.c1ccc(C[NH2+]Cc2ccc3c(c2)OCCOCCOCCOc2ccccc2OCCOCCOCCO3)cc1
InChIInChI=1S/C32H41NO8.F6P/c1-2-6-27(7-3-1)25-33-26-28-10-11-31-32(24-28)41-23-19-37-15-14-35-17-21-39-30-9-5-4-8-29(30)38-20-16-34-12-13-36-18-22-40-31;1-7(2,3,4,5)6/h1-11,24,33H,12-23,25-26H2;/q;-1/p+1
InChIKeyRBLOYSOQRFWUOZ-UHFFFAOYSA-O
MW713.65 g/mol
LogP6.63
Rot. Bonds4

About benzyl(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

benzyl(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 11115225) has the molecular formula C32H42F6NO8P and a molecular weight of 713.65 g/mol. Its IUPAC name is benzyl(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 Namebenzyl(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 CID11115225
Molecular FormulaC32H42F6NO8P
Molecular Weight713.65 g/mol
Exact Mass713.26
IUPAC Namebenzyl(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.c1ccc(C[NH2+]Cc2ccc3c(c2)OCCOCCOCCOc2ccccc2OCCOCCOCCO3)cc1
InChIInChI=1S/C32H41NO8.F6P/c1-2-6-27(7-3-1)25-33-26-28-10-11-31-32(24-28)41-23-19-37-15-14-35-17-21-39-30-9-5-4-8-29(30)38-20-16-34-12-13-36-18-22-40-31;1-7(2,3,4,5)6/h1-11,24,33H,12-23,25-26H2;/q;-1/p+1
InChIKeyRBLOYSOQRFWUOZ-UHFFFAOYSA-O
XLogP6.63
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.65
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze benzyl(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
2-{[3-Methoxy-4-(2-phenylethoxy)benzyl]amino}ethanol
CID 2980382
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
(3-Ethoxypropyl){3-methoxy-4-[(2-methylbenzyl)oxy]benzyl}amine hydrochloride
CID 2983761
1-N,1-N-diethyl-4-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]pentane-1,4-diamine
CID 3950255

Frequently Asked Questions

What is the IUPAC name of benzyl(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 benzyl(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 11115225) is benzyl(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 benzyl(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 benzyl(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.c1ccc(C[NH2+]Cc2ccc3c(c2)OCCOCCOCCOc2ccccc2OCCOCCOCCO3)cc1.
What is the InChIKey of benzyl(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 RBLOYSOQRFWUOZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C32H41NO8.F6P/c1-2-6-27(7-3-1)25-33-26-28-10-11-31-32(24-28)41-23-19-37-15-14-35-17-21-39-30-9-5-4-8-29(30)38-20-16-34-12-13-36-18-22-40-31;1-7(2,3,4,5)6/h1-11,24,33H,12-23,25-26H2;/q;-1/p+1.
What are the key properties of benzyl(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?
benzyl(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 713.65 g/mol, XLogP of 6.63, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(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 11115225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).