(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate

C124H122O14S3 — CID 160519845

IUPAC(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCO)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCOC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCS)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCSC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(c2ccsc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O3.C21H16O2S.C21H22O2S.C21H22O2.C20H20O3.C20H20O2S/c1-15(2)20(22)24-21(13-8-14-23-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21;1-14(2)20(22)23-21(15-11-12-24-13-15)18-9-5-3-7-16(18)17-8-4-6-10-19(17)21;1-15(2)20(22)23-21(13-8-14-24-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21;1-4-5-14-21(23-20(22)15(2)3)18-12-8-6-10-16(18)17-11-7-9-13-19(17)21;1-14(2)19(22)23-20(12-7-13-21)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20;1-14(2)19(21)22-20(12-7-13-23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h4-7,9-12H,1,8,13-14H2,2-3H3;3-13H,1H2,2H3;4-7,9-12H,1,8,13-14H2,2-3H3;6-13H,2,4-5,14H2,1,3H3;3-6,8-11,21H,1,7,12-13H2,2H3;3-6,8-11,23H,1,7,12-13H2,2H3
InChIKeyQUDAXZOLLHBMLY-UHFFFAOYSA-N
MW1932.53 g/mol
LogP28.53
Rot. Bonds30

About (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate

(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate (PubChem CID 160519845) has the molecular formula C124H122O14S3 and a molecular weight of 1932.53 g/mol. Its IUPAC name is (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate
PubChem CID160519845
Molecular FormulaC124H122O14S3
Molecular Weight1932.53 g/mol
Exact Mass1930.80
IUPAC Name(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CCCC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCO)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCOC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCS)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCSC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(c2ccsc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C21H22O3.C21H16O2S.C21H22O2S.C21H22O2.C20H20O3.C20H20O2S/c1-15(2)20(22)24-21(13-8-14-23-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21;1-14(2)20(22)23-21(15-11-12-24-13-15)18-9-5-3-7-16(18)17-8-4-6-10-19(17)21;1-15(2)20(22)23-21(13-8-14-24-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21;1-4-5-14-21(23-20(22)15(2)3)18-12-8-6-10-16(18)17-11-7-9-13-19(17)21;1-14(2)19(22)23-20(12-7-13-21)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20;1-14(2)19(21)22-20(12-7-13-23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h4-7,9-12H,1,8,13-14H2,2-3H3;3-13H,1H2,2H3;4-7,9-12H,1,8,13-14H2,2-3H3;6-13H,2,4-5,14H2,1,3H3;3-6,8-11,21H,1,7,12-13H2,2H3;3-6,8-11,23H,1,7,12-13H2,2H3
InChIKeyQUDAXZOLLHBMLY-UHFFFAOYSA-N
XLogP28.53
TPSA187.26 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds30
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001932.53
LogP ≤ 528.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate with MolForge

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Related Compounds

[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476842
[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate
CID 59476823
(7-tert-butylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;ethane;[7-(4-hydroxybutyl)benzo[a]phenalen-7-yl] 2-methylprop-2-enoate;methanol;methoxymethane;methyl acetate;tetrakis((7-methylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate);(7-phenylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;(7-propan-2-ylbenzo[a]phenalen-7-yl) 2-methylprop-2-enoate;[7-(4-sulfanylbutyl)benzo[a]phenalen-7-yl] 2-methylprop-2-enoate
CID 158894460
(10-oxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891178
(10,10-dioxo-9-phenylthioxanthen-9-yl) 2-methylprop-2-enoate
CID 67891174
(2-butyl-1,3-dihydroinden-2-yl) 2-methylprop-2-enoate
CID 89397821
(2S)-2-amino-3-(9-butylfluoren-9-yl)oxybutanoic acid
CID 70055433
S-(3-methylsulfanylpropyl) 2-thiophen-3-ylethanethioate
CID 161243564
(9-ethenylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476828
(9-tert-butylfluoren-9-yl) 2-methylprop-2-enoate
CID 59476848
[9-(furan-2-yl)-10-oxoanthracen-9-yl] 2-methylprop-2-enoate;[9-(furan-2-yl)thioxanthen-9-yl] 2-methylprop-2-enoate;[9-(furan-2-yl)xanthen-9-yl] 2-methylprop-2-enoate;[9-(3-hydroxypropyl)-10-oxoanthracen-9-yl] 2-methylprop-2-enoate;[9-(3-hydroxypropyl)thioxanthen-9-yl] 2-methylprop-2-enoate;[9-(3-hydroxypropyl)xanthen-9-yl] 2-methylprop-2-enoate;[9-(oxolan-2-yl)thioxanthen-9-yl] 2-methylprop-2-enoate;[9-(oxolan-3-yl)thioxanthen-9-yl] 2-methylprop-2-enoate;[9-(oxolan-2-yl)xanthen-9-yl] 2-methylprop-2-enoate;[9-(oxolan-3-yl)xanthen-9-yl] 2-methylprop-2-enoate;[10-oxo-9-(oxolan-2-yl)anthracen-9-yl] 2-methylprop-2-enoate;[10-oxo-9-(oxolan-3-yl)anthracen-9-yl] 2-methylprop-2-enoate
CID 160786809
5-[4-[9-(4-butoxyphenyl)fluoren-9-yl]phenoxy]pentan-2-one
CID 176819827

Frequently Asked Questions

What is the IUPAC name of (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate?
The IUPAC name of (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate (CID 160519845) is (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate?
The canonical SMILES for (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CCCC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCO)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCOC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCS)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(CCCSC)c2ccccc2-c2ccccc21.C=C(C)C(=O)OC1(c2ccsc2)c2ccccc2-c2ccccc21.
What is the InChIKey of (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate?
The InChIKey is QUDAXZOLLHBMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O3.C21H16O2S.C21H22O2S.C21H22O2.C20H20O3.C20H20O2S/c1-15(2)20(22)24-21(13-8-14-23-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21;1-14(2)20(22)23-21(15-11-12-24-13-15)18-9-5-3-7-16(18)17-8-4-6-10-19(17)21;1-15(2)20(22)23-21(13-8-14-24-3)18-11-6-4-9-16(18)17-10-5-7-12-19(17)21;1-4-5-14-21(23-20(22)15(2)3)18-12-8-6-10-16(18)17-11-7-9-13-19(17)21;1-14(2)19(22)23-20(12-7-13-21)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20;1-14(2)19(21)22-20(12-7-13-23)17-10-5-3-8-15(17)16-9-4-6-11-18(16)20/h4-7,9-12H,1,8,13-14H2,2-3H3;3-13H,1H2,2H3;4-7,9-12H,1,8,13-14H2,2-3H3;6-13H,2,4-5,14H2,1,3H3;3-6,8-11,21H,1,7,12-13H2,2H3;3-6,8-11,23H,1,7,12-13H2,2H3.
What are the key properties of (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate?
(9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate has a molecular weight of 1932.53 g/mol, XLogP of 28.53, 30 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (9-butylfluoren-9-yl) 2-methylprop-2-enoate;[9-(3-hydroxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methoxypropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-methylsulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;[9-(3-sulfanylpropyl)fluoren-9-yl] 2-methylprop-2-enoate;(9-thiophen-3-ylfluoren-9-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 160519845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).