1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride

C123H107ClO23 — CID 161354777

IUPAC1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)OC(COc1ccc(C2(c3ccc(OCC(COc4cccc5cc(OCC6CO6)ccc45)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC3CO3)cccc2c1.OC(COc1ccc(C2(c3ccc(OCC(O)COc4cccc5cc(OCC6CO6)ccc45)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC3CO3)cccc2c1
InChIInChI=1S/C63H54O12.C57H50O10.C3H3ClO/c1-3-61(64)74-51(39-69-48-28-30-53-42(32-48)11-9-17-59(53)72-36-50-35-71-50)37-66-45-23-19-43(20-24-45)63(57-15-7-5-13-55(57)56-14-6-8-16-58(56)63)44-21-25-46(26-22-44)67-38-52(75-62(65)4-2)40-73-60-18-10-12-41-31-47(27-29-54(41)60)68-33-49-34-70-49;58-41(31-62-45-23-25-50-37(27-45)8-6-14-56(50)67-36-48-35-65-48)29-60-43-19-15-39(16-20-43)57(53-11-3-1-9-51(53)52-10-2-4-12-54(52)57)40-17-21-44(22-18-40)61-30-42(59)32-66-55-13-5-7-38-28-46(24-26-49(38)55)63-33-47-34-64-47;1-2-3(4)5/h3-32,49-52H,1-2,33-40H2;1-28,41-42,47-48,58-59H,29-36H2;2H,1H2
InChIKeyVOJXKJORUUOPCZ-UHFFFAOYSA-N
MW1988.64 g/mol
LogP21.51
Rot. Bonds45

About 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride

1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride (PubChem CID 161354777) has the molecular formula C123H107ClO23 and a molecular weight of 1988.64 g/mol. Its IUPAC name is 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride.

Molecular Properties

Compound Name1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride
PubChem CID161354777
Molecular FormulaC123H107ClO23
Molecular Weight1988.64 g/mol
Exact Mass1986.69
IUPAC Name1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride
SMILESC=CC(=O)Cl.C=CC(=O)OC(COc1ccc(C2(c3ccc(OCC(COc4cccc5cc(OCC6CO6)ccc45)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC3CO3)cccc2c1.OC(COc1ccc(C2(c3ccc(OCC(O)COc4cccc5cc(OCC6CO6)ccc45)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC3CO3)cccc2c1
InChIInChI=1S/C63H54O12.C57H50O10.C3H3ClO/c1-3-61(64)74-51(39-69-48-28-30-53-42(32-48)11-9-17-59(53)72-36-50-35-71-50)37-66-45-23-19-43(20-24-45)63(57-15-7-5-13-55(57)56-14-6-8-16-58(56)63)44-21-25-46(26-22-44)67-38-52(75-62(65)4-2)40-73-60-18-10-12-41-31-47(27-29-54(41)60)68-33-49-34-70-49;58-41(31-62-45-23-25-50-37(27-45)8-6-14-56(50)67-36-48-35-65-48)29-60-43-19-15-39(16-20-43)57(53-11-3-1-9-51(53)52-10-2-4-12-54(52)57)40-17-21-44(22-18-40)61-30-42(59)32-66-55-13-5-7-38-28-46(24-26-49(38)55)63-33-47-34-64-47;1-2-3(4)5/h3-32,49-52H,1-2,33-40H2;1-28,41-42,47-48,58-59H,29-36H2;2H,1H2
InChIKeyVOJXKJORUUOPCZ-UHFFFAOYSA-N
XLogP21.51
TPSA271.01 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds45
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.64
LogP ≤ 521.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(5-ethoxynaphthalen-2-yl)oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate
CID 88562548
1-chloro-3-[4-[9-[4-[[(2R)-oxiran-2-yl]methoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-ol
CID 89157873
sodium;3-bromoprop-1-ene;hydride;1-[7-[2-hydroxy-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxy-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;2-[[6-[3-[7-[3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-2-prop-2-enoxypropoxy]naphthalen-2-yl]oxy-2-prop-2-enoxypropoxy]naphthalen-1-yl]oxymethyl]oxirane
CID 158081987
[(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
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
2-[[2-methyl-4-[9-[3-methyl-4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane;[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;2-[2-[4-[9-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxymethyl]oxirane;2-[[4-[9-[4-(oxiran-2-ylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane;2-[2-[4-[9-[4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethyl prop-2-enoate
CID 159778826
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;2-(phenoxymethyl)oxirane;propane
CID 91150847
2-[[4-[9-[4-(cyclopropylmethoxy)phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
CID 88858743
[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
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-[[6-[9,18,18,27,27-pentakis[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-9-heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaenyl]naphthalen-2-yl]oxymethyl]oxirane
CID 89491365
2-[[4-[9-[4-[2-(oxiran-2-yl)ethoxy]phenyl]fluoren-9-yl]phenoxy]methyl]oxirane
CID 178028891

Frequently Asked Questions

What is the IUPAC name of 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride?
The IUPAC name of 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride (CID 161354777) is 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride.
What is the SMILES notation for 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride?
The canonical SMILES for 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride is C=CC(=O)Cl.C=CC(=O)OC(COc1ccc(C2(c3ccc(OCC(COc4cccc5cc(OCC6CO6)ccc45)OC(=O)C=C)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC3CO3)cccc2c1.OC(COc1ccc(C2(c3ccc(OCC(O)COc4cccc5cc(OCC6CO6)ccc45)cc3)c3ccccc3-c3ccccc32)cc1)COc1ccc2c(OCC3CO3)cccc2c1.
What is the InChIKey of 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride?
The InChIKey is VOJXKJORUUOPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H54O12.C57H50O10.C3H3ClO/c1-3-61(64)74-51(39-69-48-28-30-53-42(32-48)11-9-17-59(53)72-36-50-35-71-50)37-66-45-23-19-43(20-24-45)63(57-15-7-5-13-55(57)56-14-6-8-16-58(56)63)44-21-25-46(26-22-44)67-38-52(75-62(65)4-2)40-73-60-18-10-12-41-31-47(27-29-54(41)60)68-33-49-34-70-49;58-41(31-62-45-23-25-50-37(27-45)8-6-14-56(50)67-36-48-35-65-48)29-60-43-19-15-39(16-20-43)57(53-11-3-1-9-51(53)52-10-2-4-12-54(52)57)40-17-21-44(22-18-40)61-30-42(59)32-66-55-13-5-7-38-28-46(24-26-49(38)55)63-33-47-34-64-47;1-2-3(4)5/h3-32,49-52H,1-2,33-40H2;1-28,41-42,47-48,58-59H,29-36H2;2H,1H2.
What are the key properties of 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride?
1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride has a molecular weight of 1988.64 g/mol, XLogP of 21.51, 45 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[9-[4-[2-hydroxy-3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxypropoxy]phenyl]fluoren-9-yl]phenoxy]-3-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxypropan-2-ol;[1-[5-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxy-3-[4-[9-[4-[3-[6-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxy-2-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propan-2-yl] prop-2-enoate;prop-2-enoyl chloride is sourced from PubChem (CID 161354777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).