(3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate

About (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate

(3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate (PubChem CID 25270345) has the molecular formula C49H60F6NO8P and a molecular weight of 935.98 g/mol. Its IUPAC name is (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate.

Molecular Properties

Compound Name	(3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate
PubChem CID	25270345
Molecular Formula	C49H60F6NO8P
Molecular Weight	935.98 g/mol
Exact Mass	935.40
IUPAC Name	(3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate
SMILES	C/C(=C/c1ccccc1)c1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cc1.F[P-](F)(F)(F)(F)F.c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2
InChI	InChI=1S/C25H27N.C24H32O8.F6P/c1-19-13-20(2)15-24(14-19)18-26-17-23-9-11-25(12-10-23)21(3)16-22-7-5-4-6-8-22;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22;1-7(2,3,4,5)6/h4-16,26H,17-18H2,1-3H3;1-8H,9-20H2;/q;;-1/p+1/b21-16-;;
InChIKey	VDGCTEXRQJFFCX-LDDZECERSA-O
XLogP	11.49
TPSA	90.45 Å²
H-Bond Donors	1
H-Bond Acceptors	8
Rotatable Bonds	6
Heavy Atoms	65
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	935.98
LogP ≤ 5	11.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate?

The IUPAC name of (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate (CID 25270345) is (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate.

What is the SMILES notation for (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate?

The canonical SMILES for (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate is C/C(=C/c1ccccc1)c1ccc(C[NH2+]Cc2cc(C)cc(C)c2)cc1.F[P-](F)(F)(F)(F)F.c1ccc2c(c1)OCCOCCOCCOc1ccccc1OCCOCCOCCO2.

What is the InChIKey of (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate?

The InChIKey is VDGCTEXRQJFFCX-LDDZECERSA-O. The full InChI is InChI=1S/C25H27N.C24H32O8.F6P/c1-19-13-20(2)15-24(14-19)18-26-17-23-9-11-25(12-10-23)21(3)16-22-7-5-4-6-8-22;1-2-6-22-21(5-1)29-17-13-25-9-10-27-15-19-31-23-7-3-4-8-24(23)32-20-16-28-12-11-26-14-18-30-22;1-7(2,3,4,5)6/h4-16,26H,17-18H2,1-3H3;1-8H,9-20H2;/q;;-1/p+1/b21-16-;;.

What are the key properties of (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate?

(3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate has a molecular weight of 935.98 g/mol, XLogP of 11.49, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dimethylphenyl)methyl-[[4-[(Z)-1-phenylprop-1-en-2-yl]phenyl]methyl]azanium;2,5,8,11,18,21,24,27-octaoxatricyclo[26.4.0.012,17]dotriaconta-1(32),12,14,16,28,30-hexaene;hexafluorophosphate is sourced from PubChem (CID 25270345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).