[7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate

C51H52F2O10 — CID 118027453

IUPAC[7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)C=Cc4ccc(OCCCCCCOC(=O)C=C)cc4F)ccc2-3)c(F)c1
InChIInChI=1S/C51H52F2O10/c1-5-47(54)60-29-13-9-7-11-27-58-37-19-15-35(45(52)33-37)17-25-49(56)62-39-21-23-41-42-24-22-40(32-44(42)51(3,4)43(41)31-39)63-50(57)26-18-36-16-20-38(34-46(36)53)59-28-12-8-10-14-30-61-48(55)6-2/h5-6,15-26,31-34H,1-2,7-14,27-30H2,3-4H3
InChIKeyNQGMXRWXTCGYPL-UHFFFAOYSA-N
MW862.96 g/mol
LogP10.85
Rot. Bonds24

About [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate

[7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate (PubChem CID 118027453) has the molecular formula C51H52F2O10 and a molecular weight of 862.96 g/mol. Its IUPAC name is [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate.

Molecular Properties

Compound Name[7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
PubChem CID118027453
Molecular FormulaC51H52F2O10
Molecular Weight862.96 g/mol
Exact Mass862.35
IUPAC Name[7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
SMILESC=CC(=O)OCCCCCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)C=Cc4ccc(OCCCCCCOC(=O)C=C)cc4F)ccc2-3)c(F)c1
InChIInChI=1S/C51H52F2O10/c1-5-47(54)60-29-13-9-7-11-27-58-37-19-15-35(45(52)33-37)17-25-49(56)62-39-21-23-41-42-24-22-40(32-44(42)51(3,4)43(41)31-39)63-50(57)26-18-36-16-20-38(34-46(36)53)59-28-12-8-10-14-30-61-48(55)6-2/h5-6,15-26,31-34H,1-2,7-14,27-30H2,3-4H3
InChIKeyNQGMXRWXTCGYPL-UHFFFAOYSA-N
XLogP10.85
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds24
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.96
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[9,9-dimethyl-7-[2-[4-(6-prop-2-enoyloxyhexoxy)phenyl]ethenoxymethoxy]fluoren-2-yl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate
CID 118100042
[9,9-dimethyl-7-[3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoyloxy]fluoren-2-yl] 3-[4-(6-prop-2-enoyloxyhexoxy)phenyl]propanoate
CID 121311031
6-(3-fluoro-4-formylphenoxy)hexyl prop-2-enoate
CID 174332719
[7-[3-[2-fluoro-4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoate;[7-[3-[2-fluoro-4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoate;4-[2-(hydroxymethyl)-4-[3-[[7-[3-[3-methoxy-4-[4-(2-methylprop-2-enoyloxy)butoxy]phenyl]prop-2-enoyloxy]-9-methyl-9H-fluoren-2-yl]oxy]-3-oxoprop-1-enyl]phenoxy]butyl 2-methylprop-2-enoate;6-[2-(hydroxymethyl)-4-[3-[[7-[3-[3-methoxy-4-[6-(2-methylprop-2-enoyloxy)hexoxy]phenyl]prop-2-enoyloxy]-9-methyl-9H-fluoren-2-yl]oxy]-3-oxoprop-1-enyl]phenoxy]hexyl 2-(trifluoromethyl)prop-2-enoate;3-[2-(hydroxymethyl)-4-[3-[[7-[3-[3-methoxy-4-[3-(2-methylprop-2-enoyloxy)propoxy]phenyl]prop-2-enoyloxy]-9-methyl-9H-fluoren-2-yl]oxy]-3-oxoprop-1-enyl]phenoxy]propyl 2-methylprop-2-enoate;[7-[3-[3-methoxy-4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoyloxy]-9-methyl-9H-fluoren-2-yl] 3-[3-(hydroxymethyl)-4-(4-prop-2-enoyloxybutoxy)phenyl]prop-2-enoate;[7-[3-[3-methoxy-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9-methyl-9H-fluoren-2-yl] 3-[3-(hydroxymethyl)-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate;[7-[3-[3-methoxy-4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoyloxy]-9-methyl-9H-fluoren-2-yl] 3-[3-(hydroxymethyl)-4-(3-prop-2-enoyloxypropoxy)phenyl]prop-2-enoate
CID 158909200
4-(3-fluoro-4-methylphenoxy)butyl prop-2-enoate
CID 59747405
[7-(2-fluoro-4-prop-2-enoyloxybenzoyl)oxy-9,9-dimethylfluoren-2-yl] 2-fluoro-4-(6-prop-2-enoyloxyhexoxy)benzoate;[2-methyl-4-(4-prop-2-enoyloxybenzoyl)oxyphenyl] 4-(6-prop-2-enoyloxyhexoxy)benzoate;bis(1-propoxypropane)
CID 158957364
2-[4-[2-[4-[2-(2-fluoro-4-prop-2-enoyloxyphenyl)ethenyl]phenyl]ethenyl]phenoxy]ethyl prop-2-enoate
CID 123770109
1-O-[4-[9,9-dimethyl-7-[4-(3-prop-2-enoyloxypropoxy)benzoyl]oxyfluoren-2-yl]oxybutyl] 4-O-methyl 2-methylidenebutanedioate
CID 154624770
4-[3,4-bis(3,4,5-trifluorophenyl)phenoxy]butyl prop-2-enoate
CID 59725302
6-[4-[3-fluoro-4-[4-(6-prop-2-enoyloxyhexoxy)phenyl]phenyl]phenoxy]hexyl prop-2-enoate
CID 59768932
[4-(2-prop-2-enoyloxyethyl)phenyl] (E)-3-[2-fluoro-4-(4-prop-2-enoyloxyphenyl)phenyl]prop-2-enoate
CID 68642304
6-[6-[2-fluoro-4-(6-prop-2-enylperoxyhexoxy)phenyl]naphthalen-2-yl]oxyhexyl prop-2-enoate
CID 54012328

Frequently Asked Questions

What is the IUPAC name of [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
The IUPAC name of [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate (CID 118027453) is [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate.
What is the SMILES notation for [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
The canonical SMILES for [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate is C=CC(=O)OCCCCCCOc1ccc(C=CC(=O)Oc2ccc3c(c2)C(C)(C)c2cc(OC(=O)C=Cc4ccc(OCCCCCCOC(=O)C=C)cc4F)ccc2-3)c(F)c1.
What is the InChIKey of [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
The InChIKey is NQGMXRWXTCGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H52F2O10/c1-5-47(54)60-29-13-9-7-11-27-58-37-19-15-35(45(52)33-37)17-25-49(56)62-39-21-23-41-42-24-22-40(32-44(42)51(3,4)43(41)31-39)63-50(57)26-18-36-16-20-38(34-46(36)53)59-28-12-8-10-14-30-61-48(55)6-2/h5-6,15-26,31-34H,1-2,7-14,27-30H2,3-4H3.
What are the key properties of [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate?
[7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate has a molecular weight of 862.96 g/mol, XLogP of 10.85, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [7-[3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoyloxy]-9,9-dimethylfluoren-2-yl] 3-[2-fluoro-4-(6-prop-2-enoyloxyhexoxy)phenyl]prop-2-enoate is sourced from PubChem (CID 118027453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).