[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

C47H44O10 — CID 76556549

IUPAC[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=COc1ccc(C2(c3ccc(OCC(COC(=O)C(=C)C)OC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1)OC(=O)C(=C)C
InChIInChI=1S/C47H44O10/c1-29(2)43(48)54-27-37(56-45(50)31(5)6)25-52-35-21-17-33(18-22-35)47(41-15-11-9-13-39(41)40-14-10-12-16-42(40)47)34-19-23-36(24-20-34)53-26-38(57-46(51)32(7)8)28-55-44(49)30(3)4/h9-25,38H,1,3,5,7,26-28H2,2,4,6,8H3
InChIKeyIPNNOODKQIJFMX-UHFFFAOYSA-N
MW768.86 g/mol
LogP8.49
Rot. Bonds17

About [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate

[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (PubChem CID 76556549) has the molecular formula C47H44O10 and a molecular weight of 768.86 g/mol. Its IUPAC name is [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
PubChem CID76556549
Molecular FormulaC47H44O10
Molecular Weight768.86 g/mol
Exact Mass768.29
IUPAC Name[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=COc1ccc(C2(c3ccc(OCC(COC(=O)C(=C)C)OC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1)OC(=O)C(=C)C
InChIInChI=1S/C47H44O10/c1-29(2)43(48)54-27-37(56-45(50)31(5)6)25-52-35-21-17-33(18-22-35)47(41-15-11-9-13-39(41)40-14-10-12-16-42(40)47)34-19-23-36(24-20-34)53-26-38(57-46(51)32(7)8)28-55-44(49)30(3)4/h9-25,38H,1,3,5,7,26-28H2,2,4,6,8H3
InChIKeyIPNNOODKQIJFMX-UHFFFAOYSA-N
XLogP8.49
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.86
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 118227625
6-[1-[4-[9-[4-[2-(2-methylidenebut-3-enoyloxy)-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-prop-2-enoyloxypropan-2-yl]oxycarbonylcyclohex-3-ene-1-carboxylic acid
CID 146642498
6-[2-hydroxy-3-[4-[9-[4-[2-hydroxy-3-[6-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonylcyclohex-3-ene-1-carbonyl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]propoxy]carbonylcyclohex-3-ene-1-carboxylic acid;1-O-[2-hydroxy-3-[4-[9-[4-[2-hydroxy-3-[6-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]carbonylcyclohex-3-ene-1-carbonyl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] 2-O-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl] cyclohex-4-ene-1,2-dicarboxylate
CID 158105822
[4-[9-[4-(3-methyl-2-oxobut-3-enoxy)phenyl]fluoren-9-yl]phenyl] 2-methylprop-2-eneperoxoate
CID 118227614
9,9-bis[4-(2-methylprop-2-enoxy)phenyl]fluorene
CID 18704292
2-[2-[4-(9-phenylfluoren-9-yl)phenoxy]ethoxycarbonylamino]ethyl 2-methylprop-2-enoate
CID 135250995
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
[3-[4-[2-[4-[2,3-bis(2-methylprop-2-enoyloxy)propoxy]phenyl]propan-2-yl]phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate
CID 59069632
[2-hydroxy-3-(2-methoxyethoxy)propyl] 2-methylprop-2-enoate;[2-hydroxy-3-[2-[4-[9-(4-methylphenyl)fluoren-9-yl]phenoxy]ethoxy]propyl] 2-methylprop-2-enoate;dodecakis(yttrium)
CID 158398671
4-[1-[4-[9-[4-[2-(3-carboxy-2-methylbut-2-enoyl)oxy-3-[2-(1,3-dithiolan-2-yl)ethylsulfanyl]propoxy]phenyl]fluoren-9-yl]phenoxy]-3-[2-(1,3-dithiolan-2-yl)ethylsulfanyl]propan-2-yl]oxy-2,3-dimethyl-4-oxobut-2-enoic acid
CID 90926024
1,3-bis(4-ethylphenoxy)propan-2-yl 2-methylprop-2-enoate
CID 134322416
(1-hydroxy-3-phenoxypropan-2-yl) 2-methylprop-2-enoate;(2-hydroxy-3-phenoxypropyl) 2-methylprop-2-enoate
CID 160914554

Frequently Asked Questions

What is the IUPAC name of [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate (CID 76556549) is [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=COc1ccc(C2(c3ccc(OCC(COC(=O)C(=C)C)OC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1)OC(=O)C(=C)C.
What is the InChIKey of [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
The InChIKey is IPNNOODKQIJFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H44O10/c1-29(2)43(48)54-27-37(56-45(50)31(5)6)25-52-35-21-17-33(18-22-35)47(41-15-11-9-13-39(41)40-14-10-12-16-42(40)47)34-19-23-36(24-20-34)53-26-38(57-46(51)32(7)8)28-55-44(49)30(3)4/h9-25,38H,1,3,5,7,26-28H2,2,4,6,8H3.
What are the key properties of [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate?
[3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate has a molecular weight of 768.86 g/mol, XLogP of 8.49, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[9-[4-[2,3-bis(2-methylprop-2-enoyloxy)prop-1-enoxy]phenyl]fluoren-9-yl]phenoxy]-2-(2-methylprop-2-enoyloxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 76556549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).