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

C115H122O33 — CID 158105822

About 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

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 (PubChem CID 158105822) has the molecular formula C115H122O33 and a molecular weight of 2032.21 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 158105822
• Molecular Formula: C115H122O33
• Molecular Weight: 2032.21 g/mol
• Exact Mass: 2030.79
• IUPAC Name: 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
• SMILES: C=C(C)C(=O)OCC(O)COC(=O)C1CC=CCC1C(=O)OCC(O)COc1ccc(C2(c3ccc(OCC(O)COC(=O)C4CC=CCC4C(=O)O)cc3)c3ccccc3-c3ccccc32)cc1.C=C(C)C(=O)OCC(O)COC(=O)C1CC=CCC1C(=O)OCC(O)COc1ccc(C2(c3ccc(OCC(O)COC(=O)C4CC=CCC4C(=O)OCC(O)COC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1
• InChI: InChI=1S/C61H66O18.C54H56O15/c1-37(2)55(66)74-31-43(64)35-78-59(70)51-17-7-5-15-49(51)57(68)76-33-41(62)29-72-45-25-21-39(22-26-45)61(53-19-11-9-13-47(53)48-14-10-12-20-54(48)61)40-23-27-46(28-24-40)73-30-42(63)34-77-58(69)50-16-6-8-18-52(50)60(71)79-36-44(65)32-75-56(67)38(3)4;1-33(2)50(60)66-29-38(57)32-69-53(63)46-16-6-5-15-45(46)52(62)68-31-37(56)28-65-40-25-21-35(22-26-40)54(47-17-9-7-11-41(47)42-12-8-10-18-48(42)54)34-19-23-39(24-20-34)64-27-36(55)30-67-51(61)44-14-4-3-13-43(44)49(58)59/h5-14,19-28,41-44,49-52,62-65H,1,3,15-18,29-36H2,2,4H3;3-12,17-26,36-38,43-46,55-57H,1,13-16,27-32H2,2H3,(H,58,59)
• InChIKey: FPUUUBYPZJKUQS-UHFFFAOYSA-N
• XLogP: 11.72
• TPSA: 478.83 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 47
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2032.21
LogP ≤ 5	11.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C=C(C)C(=O)OCC(O)COC(=O)C1CC=CCC1C(=O)OCC(O)COc1ccc(C2(c3ccc(OCC(O)COC(=O)C4CC=CCC4C(=O)O)cc3)c3ccccc3-c3ccccc32)cc1.C=C(C)C(=O)OCC(O)COC(=O)C1CC=CCC1C(=O)OCC(O)COc1ccc(C2(c3ccc(OCC(O)COC(=O)C4CC=CCC4C(=O)OCC(O)COC(=O)C(=C)C)cc3)c3ccccc3-c3ccccc32)cc1.

What is the InChIKey of 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?

The InChIKey is FPUUUBYPZJKUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H66O18.C54H56O15/c1-37(2)55(66)74-31-43(64)35-78-59(70)51-17-7-5-15-49(51)57(68)76-33-41(62)29-72-45-25-21-39(22-26-45)61(53-19-11-9-13-47(53)48-14-10-12-20-54(48)61)40-23-27-46(28-24-40)73-30-42(63)34-77-58(69)50-16-6-8-18-52(50)60(71)79-36-44(65)32-75-56(67)38(3)4;1-33(2)50(60)66-29-38(57)32-69-53(63)46-16-6-5-15-45(46)52(62)68-31-37(56)28-65-40-25-21-35(22-26-40)54(47-17-9-7-11-41(47)42-12-8-10-18-48(42)54)34-19-23-39(24-20-34)64-27-36(55)30-67-51(61)44-14-4-3-13-43(44)49(58)59/h5-14,19-28,41-44,49-52,62-65H,1,3,15-18,29-36H2,2,4H3;3-12,17-26,36-38,43-46,55-57H,1,13-16,27-32H2,2H3,(H,58,59).

What are the key properties of 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?

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 has a molecular weight of 2032.21 g/mol, XLogP of 11.72, 47 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 158105822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).