[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate

C43H38O10 — CID 118227625

IUPAC[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(COc1ccc(C2(c3ccc(OC(OC(=O)C=C)C(C)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1)OC(=O)C=C
InChIInChI=1S/C43H38O10/c1-6-38(44)49-27-33(51-40(46)8-3)26-48-31-22-18-29(19-23-31)43(36-16-12-10-14-34(36)35-15-11-13-17-37(35)43)30-20-24-32(25-21-30)52-42(53-41(47)9-4)28(5)50-39(45)7-2/h6-25,28,33,42H,1-4,26-27H2,5H3
InChIKeyMSTYAPZNHGJCGH-UHFFFAOYSA-N
MW714.77 g/mol
LogP6.81
Rot. Bonds17

About [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate

[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate (PubChem CID 118227625) has the molecular formula C43H38O10 and a molecular weight of 714.77 g/mol. Its IUPAC name is [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
PubChem CID118227625
Molecular FormulaC43H38O10
Molecular Weight714.77 g/mol
Exact Mass714.25
IUPAC Name[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(COc1ccc(C2(c3ccc(OC(OC(=O)C=C)C(C)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1)OC(=O)C=C
InChIInChI=1S/C43H38O10/c1-6-38(44)49-27-33(51-40(46)8-3)26-48-31-22-18-29(19-23-31)43(36-16-12-10-14-34(36)35-15-11-13-17-37(35)43)30-20-24-32(25-21-30)52-42(53-41(47)9-4)28(5)50-39(45)7-2/h6-25,28,33,42H,1-4,26-27H2,5H3
InChIKeyMSTYAPZNHGJCGH-UHFFFAOYSA-N
XLogP6.81
TPSA123.66 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.77
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(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
[2-methyl-3-[2-[4-[9-[4-[2-(2-methyl-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate
CID 59702756
2-[4-[9-[3,4-bis(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]-2-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate;[3-[2-[4-[9-[4-[2-[2,3-di(prop-2-enoyloxy)propoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate;[2-hydroxy-3-[2-[4-[9-[4-[2-(2-hydroxy-3-prop-2-enoyloxypropoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]propyl] prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 162097512
2-methoxycarbonyl-5-[1-[4-[9-[4-(2-methoxy-3-prop-2-enoyloxypropoxy)phenyl]fluoren-9-yl]phenoxy]-3-prop-2-enoyloxypropan-2-yl]oxycarbonyl-3,6-bis(2-phenylethynyl)terephthalic acid
CID 164732188
[3-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]sulfanylphenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 59739137
2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 59702760
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
[1-phenylsulfanyl-3-[4-[9-[4-[3-phenylsulfanyl-2-(4-prop-2-enoyloxybutanoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] 4-prop-2-enoyloxybutanoate
CID 159166043
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
2-[4-[9-[4-(2-hydroxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate;2-[4-[9-[4-(2-prop-2-enoyloxyethoxy)phenyl]fluoren-9-yl]phenoxy]ethyl prop-2-enoate
CID 160842245
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524
9,9-bis[4-(2-ethenoxypropoxy)phenyl]fluorene
CID 68928055

Frequently Asked Questions

What is the IUPAC name of [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate?
The IUPAC name of [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) is [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate.
What is the SMILES notation for [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate?
The canonical SMILES for [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate is C=CC(=O)OCC(COc1ccc(C2(c3ccc(OC(OC(=O)C=C)C(C)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1)OC(=O)C=C.
What is the InChIKey of [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate?
The InChIKey is MSTYAPZNHGJCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H38O10/c1-6-38(44)49-27-33(51-40(46)8-3)26-48-31-22-18-29(19-23-31)43(36-16-12-10-14-34(36)35-15-11-13-17-37(35)43)30-20-24-32(25-21-30)52-42(53-41(47)9-4)28(5)50-39(45)7-2/h6-25,28,33,42H,1-4,26-27H2,5H3.
What are the key properties of [3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate?
[3-[4-[9-[4-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate has a molecular weight of 714.77 g/mol, XLogP of 6.81, 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-[1,2-di(prop-2-enoyloxy)propoxy]phenyl]fluoren-9-yl]phenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate is sourced from PubChem (CID 118227625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).