[9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)

C201H256O46 — CID 160762994

About [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)

[9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate) (PubChem CID 160762994) has the molecular formula C201H256O46 and a molecular weight of 3408.21 g/mol. Its IUPAC name is [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate).

Molecular Properties

• Compound Name: [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)
• PubChem CID: 160762994
• Molecular Formula: C201H256O46
• Molecular Weight: 3408.21 g/mol
• Exact Mass: 3405.77
• IUPAC Name: [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCC1CCC(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)C4CCC(COC(=O)C=C)CC4)ccc2-3)CC1.C=CC(=O)OCC1CCC(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)C4CCC(COC(=O)C=C)CC4)ccc2-3)CC1.C=CC(=O)OCOc1ccc(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)ccc2-3)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)ccc2-3)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc3c(c2)C(CC)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)ccc2-3)cc1
• InChI: InChI=1S/C37H32O10.2C36H30O10.2C36H42O8.20CH4/c1-4-30-33-19-28(44-21-41-26-11-13-27(14-12-26)43-23-46-36(39)6-3)15-17-31(33)32-18-16-29(20-34(30)32)47-37(40)24-7-9-25(10-8-24)42-22-45-35(38)5-2;2*1-4-34(37)44-21-41-25-8-6-24(7-9-25)36(39)46-29-15-17-31-30-16-14-28(18-32(30)23(3)33(31)19-29)43-20-40-26-10-12-27(13-11-26)42-22-45-35(38)5-2;2*1-4-34(37)40-20-24-6-10-26(11-7-24)36(39)44-29-15-17-31-30-16-14-28(18-32(30)23(3)33(31)19-29)43-22-42-27-12-8-25(9-13-27)21-41-35(38)5-2;;;;;;;;;;;;;;;;;;;;/h5-20,30H,2-4,21-23H2,1H3;2*4-19,23H,1-2,20-22H2,3H3;2*4-5,14-19,23-27H,1-2,6-13,20-22H2,3H3;20*1H4
• InChIKey: RYHXDIURTIKATB-UHFFFAOYSA-N
• XLogP: 46.67
• TPSA: 542.18 Ų
• H-Bond Acceptors: 46
• Rotatable Bonds: 67
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3408.21
LogP ≤ 5	46.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	46

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)?

The IUPAC name of [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate) (CID 160762994) is [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate).

What is the SMILES notation for [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)?

The canonical SMILES for [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate) is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C=CC(=O)OCC1CCC(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)C4CCC(COC(=O)C=C)CC4)ccc2-3)CC1.C=CC(=O)OCC1CCC(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)C4CCC(COC(=O)C=C)CC4)ccc2-3)CC1.C=CC(=O)OCOc1ccc(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)ccc2-3)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc3c(c2)C(C)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)ccc2-3)cc1.C=CC(=O)OCOc1ccc(OCOc2ccc3c(c2)C(CC)c2cc(OC(=O)c4ccc(OCOC(=O)C=C)cc4)ccc2-3)cc1.

What is the InChIKey of [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)?

The InChIKey is RYHXDIURTIKATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32O10.2C36H30O10.2C36H42O8.20CH4/c1-4-30-33-19-28(44-21-41-26-11-13-27(14-12-26)43-23-46-36(39)6-3)15-17-31(33)32-18-16-29(20-34(30)32)47-37(40)24-7-9-25(10-8-24)42-22-45-35(38)5-2;2*1-4-34(37)44-21-41-25-8-6-24(7-9-25)36(39)46-29-15-17-31-30-16-14-28(18-32(30)23(3)33(31)19-29)43-20-40-26-10-12-27(13-11-26)42-22-45-35(38)5-2;2*1-4-34(37)40-20-24-6-10-26(11-7-24)36(39)44-29-15-17-31-30-16-14-28(18-32(30)23(3)33(31)19-29)43-22-42-27-12-8-25(9-13-27)21-41-35(38)5-2;;;;;;;;;;;;;;;;;;;;/h5-20,30H,2-4,21-23H2,1H3;2*4-19,23H,1-2,20-22H2,3H3;2*4-5,14-19,23-27H,1-2,6-13,20-22H2,3H3;20*1H4.

What are the key properties of [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate)?

[9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate) has a molecular weight of 3408.21 g/mol, XLogP of 46.67, 67 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for [9-ethyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;methane;bis([9-methyl-7-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate);bis([9-methyl-7-[[4-(prop-2-enoyloxymethyl)cyclohexyl]oxymethoxy]-9H-fluoren-2-yl] 4-(prop-2-enoyloxymethyl)cyclohexane-1-carboxylate) is sourced from PubChem (CID 160762994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).