6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate

C47H52F2O6 — CID 23527450

IUPAC6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(CCc2ccc3c(c2)C(F)(F)c2cc(CCc4ccc(OC(CCCCC)OC(=O)C=C)cc4)ccc2-3)cc1
InChIInChI=1S/C47H52F2O6/c1-4-7-10-13-46(55-45(51)6-3)54-39-26-20-35(21-27-39)15-17-37-23-29-41-40-28-22-36(32-42(40)47(48,49)43(41)33-37)16-14-34-18-24-38(25-19-34)52-30-11-8-9-12-31-53-44(50)5-2/h5-6,18-29,32-33,46H,2-4,7-17,30-31H2,1H3
InChIKeyNRWFNVPXGWGRNH-UHFFFAOYSA-N
MW750.92 g/mol
LogP11.06
Rot. Bonds23

About 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate

6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate (PubChem CID 23527450) has the molecular formula C47H52F2O6 and a molecular weight of 750.92 g/mol. Its IUPAC name is 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate.

Molecular Properties

Compound Name6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate
PubChem CID23527450
Molecular FormulaC47H52F2O6
Molecular Weight750.92 g/mol
Exact Mass750.37
IUPAC Name6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(CCc2ccc3c(c2)C(F)(F)c2cc(CCc4ccc(OC(CCCCC)OC(=O)C=C)cc4)ccc2-3)cc1
InChIInChI=1S/C47H52F2O6/c1-4-7-10-13-46(55-45(51)6-3)54-39-26-20-35(21-27-39)15-17-37-23-29-41-40-28-22-36(32-42(40)47(48,49)43(41)33-37)16-14-34-18-24-38(25-19-34)52-30-11-8-9-12-31-53-44(50)5-2/h5-6,18-29,32-33,46H,2-4,7-17,30-31H2,1H3
InChIKeyNRWFNVPXGWGRNH-UHFFFAOYSA-N
XLogP11.06
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.92
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate 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

((9H-Fluorene-9,9-diyl)bis((4,1-phenylene)oxy)ethane-2,1-diyl) diprop-2-enoate
CID 17789732
[4-[9-[4-(2,2,2-Trifluoroacetyl)oxyphenyl]fluoren-9-yl]phenyl] 2,2,2-trifluoroacetate
CID 164518658
Bis-(4-octyloxyphenyl)fluorene
CID 129860614
1-Ethenyl-4-(1-ethoxyethoxy)benzene;(2-propan-2-yl-2-adamantyl) 2-methylprop-2-enoate;(1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 162147819
2-Ethoxy-7-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-1,8,9,9-tetrafluorofluorene
CID 12067453
6-[4-[2-[4-[4-[6-(Ethenoxymethoxy)hexoxy]phenyl]-2,3-difluorophenyl]ethyl]phenoxy]hexyl prop-2-enoate
CID 20586879
[4-[2-[4-[2-[4-(Prop-2-enoyloxymethoxy)phenyl]ethyl]-3-(trifluoromethyl)phenyl]ethyl]phenoxy]methyl prop-2-enoate
CID 21036061
[4-[4-[4-[4-[4-(Prop-2-enoyloxymethoxy)phenyl]butyl]-3-(trifluoromethyl)phenyl]butyl]phenoxy]methyl prop-2-enoate
CID 21036099
[4-[2-(9,9-Difluoro-7-pentoxyfluoren-2-yl)ethyl]phenyl] prop-2-enoate
CID 22630259
2-Pentyloxy-7-(2-(3-fluoro-4-acryloyloxyphenyl)ethyl)fluorene
CID 22630261
[4-[2-(9,9-Difluoro-7-pentoxyfluoren-2-yl)ethyl]phenyl] acetate
CID 22630263
3-[4-[2-[9,9-Difluoro-7-[2-[4-(1-prop-2-enoyloxypropoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]propyl prop-2-enoate
CID 23527449

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate?
The IUPAC name of 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate (CID 23527450) is 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate.
What is the SMILES notation for 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate?
The canonical SMILES for 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(CCc2ccc3c(c2)C(F)(F)c2cc(CCc4ccc(OC(CCCCC)OC(=O)C=C)cc4)ccc2-3)cc1.
What is the InChIKey of 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate?
The InChIKey is NRWFNVPXGWGRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H52F2O6/c1-4-7-10-13-46(55-45(51)6-3)54-39-26-20-35(21-27-39)15-17-37-23-29-41-40-28-22-36(32-42(40)47(48,49)43(41)33-37)16-14-34-18-24-38(25-19-34)52-30-11-8-9-12-31-53-44(50)5-2/h5-6,18-29,32-33,46H,2-4,7-17,30-31H2,1H3.
What are the key properties of 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate?
6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate has a molecular weight of 750.92 g/mol, XLogP of 11.06, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[9,9-difluoro-7-[2-[4-(1-prop-2-enoyloxyhexoxy)phenyl]ethyl]fluoren-2-yl]ethyl]phenoxy]hexyl prop-2-enoate is sourced from PubChem (CID 23527450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).