4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol

C36H56F3N3O10 — CID 176954448

IUPAC4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol
SMILESN/C(=C\N(N)CCOCCOCCOCCOCCOCCOCCOCCOCCc1c(F)cc(F)cc1F)CCCCOc1ccc(O)cc1
InChIInChI=1S/C36H56F3N3O10/c37-30-27-35(38)34(36(39)28-30)8-11-44-13-15-46-17-19-48-21-23-50-25-26-51-24-22-49-20-18-47-16-14-45-12-9-42(41)29-31(40)3-1-2-10-52-33-6-4-32(43)5-7-33/h4-7,27-29,43H,1-3,8-26,40-41H2/b31-29-
InChIKeyMSJYIBHKSKXQDF-YCNYHXFESA-N
MW747.85 g/mol
LogP3.71
Rot. Bonds34

About 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol

4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol (PubChem CID 176954448) has the molecular formula C36H56F3N3O10 and a molecular weight of 747.85 g/mol. Its IUPAC name is 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol.

Molecular Properties

Compound Name4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol
PubChem CID176954448
Molecular FormulaC36H56F3N3O10
Molecular Weight747.85 g/mol
Exact Mass747.39
IUPAC Name4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol
SMILESN/C(=C\N(N)CCOCCOCCOCCOCCOCCOCCOCCOCCc1c(F)cc(F)cc1F)CCCCOc1ccc(O)cc1
InChIInChI=1S/C36H56F3N3O10/c37-30-27-35(38)34(36(39)28-30)8-11-44-13-15-46-17-19-48-21-23-50-25-26-51-24-22-49-20-18-47-16-14-45-12-9-42(41)29-31(40)3-1-2-10-52-33-6-4-32(43)5-7-33/h4-7,27-29,43H,1-3,8-26,40-41H2/b31-29-
InChIKeyMSJYIBHKSKXQDF-YCNYHXFESA-N
XLogP3.71
TPSA158.58 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.85
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol with MolForge

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176953846
5-[5-[2-(2,4,6-trifluorophenyl)ethoxy]pentoxy]pentan-1-amine
CID 170719137
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
3-[2-[2-[amino-[(Z)-2-amino-3-(2-propoxyethoxy)prop-1-enyl]amino]ethoxy]ethoxy]-N-(4-hydroxyphenyl)propanamide
CID 166479274
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]phenol
CID 104564324
4-[2-(2-hydroxyethoxy)ethoxy]phenol;tungsten
CID 58924724
4-(4-fluorophenoxy)butanethioamide
CID 24702572
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
4-(4-fluorophenoxy)butanamide
CID 43244704
6-[(2,4,6-trifluorophenyl)methoxy]hexan-2-one
CID 135222204
4-octadecoxyphenol
CID 22179059
4-[amino-[(Z)-2-amino-2-[6-[2-(2-aminoethoxy)ethoxy]quinolin-2-yl]ethenyl]amino]-2-fluorophenol
CID 145139363

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol?
The IUPAC name of 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol (CID 176954448) is 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol.
What is the SMILES notation for 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol?
The canonical SMILES for 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol is N/C(=C\N(N)CCOCCOCCOCCOCCOCCOCCOCCOCCc1c(F)cc(F)cc1F)CCCCOc1ccc(O)cc1.
What is the InChIKey of 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol?
The InChIKey is MSJYIBHKSKXQDF-YCNYHXFESA-N. The full InChI is InChI=1S/C36H56F3N3O10/c37-30-27-35(38)34(36(39)28-30)8-11-44-13-15-46-17-19-48-21-23-50-25-26-51-24-22-49-20-18-47-16-14-45-12-9-42(41)29-31(40)3-1-2-10-52-33-6-4-32(43)5-7-33/h4-7,27-29,43H,1-3,8-26,40-41H2/b31-29-.
What are the key properties of 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol?
4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol has a molecular weight of 747.85 g/mol, XLogP of 3.71, 34 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-amino-6-[amino-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,4,6-trifluorophenyl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]amino]hex-5-enoxy]phenol is sourced from PubChem (CID 176954448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).