acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium

C132H156B2I2O24Pd — CID 157320394

IUPACacetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium
SMILESC=CCCCCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OCCCCC=C)c1.C=CCCCCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OCCCCC=C)c1.C=CCCCCOC(=O)c1cc(C(=O)OCCCCC=C)cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(C(=O)OCCCCC=C)cc(C(=O)OCCCCC=C)c5)cc4)cc3)cc2)c1.CC(=O)O.CC(=O)O.Ic1ccc(-c2ccc(-c3ccc(I)cc3)cc2)cc1.[Pd]
InChIInChI=1S/C58H62O8.2C26H37BO6.C18H12I2.2C2H4O2.Pd/c1-5-9-13-17-33-63-55(59)51-37-49(38-52(41-51)56(60)64-34-18-14-10-6-2)47-29-25-45(26-30-47)43-21-23-44(24-22-43)46-27-31-48(32-28-46)50-39-53(57(61)65-35-19-15-11-7-3)42-54(40-50)58(62)66-36-20-16-12-8-4;2*1-7-9-11-13-15-30-23(28)20-17-21(24(29)31-16-14-12-10-8-2)19-22(18-20)27-32-25(3,4)26(5,6)33-27;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;2*1-2(3)4;/h5-8,21-32,37-42H,1-4,9-20,33-36H2;2*7-8,17-19H,1-2,9-16H2,3-6H3;1-12H;2*1H3,(H,3,4);
InChIKeyKHTWHZVCJJMSIR-UHFFFAOYSA-N
MW2508.53 g/mol
LogP30.84
Rot. Bonds56

About acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium

acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium (PubChem CID 157320394) has the molecular formula C132H156B2I2O24Pd and a molecular weight of 2508.53 g/mol. Its IUPAC name is acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium.

Molecular Properties

Compound Nameacetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium
PubChem CID157320394
Molecular FormulaC132H156B2I2O24Pd
Molecular Weight2508.53 g/mol
Exact Mass2506.83
IUPAC Nameacetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium
SMILESC=CCCCCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OCCCCC=C)c1.C=CCCCCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OCCCCC=C)c1.C=CCCCCOC(=O)c1cc(C(=O)OCCCCC=C)cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(C(=O)OCCCCC=C)cc(C(=O)OCCCCC=C)c5)cc4)cc3)cc2)c1.CC(=O)O.CC(=O)O.Ic1ccc(-c2ccc(-c3ccc(I)cc3)cc2)cc1.[Pd]
InChIInChI=1S/C58H62O8.2C26H37BO6.C18H12I2.2C2H4O2.Pd/c1-5-9-13-17-33-63-55(59)51-37-49(38-52(41-51)56(60)64-34-18-14-10-6-2)47-29-25-45(26-30-47)43-21-23-44(24-22-43)46-27-31-48(32-28-46)50-39-53(57(61)65-35-19-15-11-7-3)42-54(40-50)58(62)66-36-20-16-12-8-4;2*1-7-9-11-13-15-30-23(28)20-17-21(24(29)31-16-14-12-10-8-2)19-22(18-20)27-32-25(3,4)26(5,6)33-27;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;2*1-2(3)4;/h5-8,21-32,37-42H,1-4,9-20,33-36H2;2*7-8,17-19H,1-2,9-16H2,3-6H3;1-12H;2*1H3,(H,3,4);
InChIKeyKHTWHZVCJJMSIR-UHFFFAOYSA-N
XLogP30.84
TPSA321.92 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds56
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002508.53
LogP ≤ 530.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium?
The IUPAC name of acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium (CID 157320394) is acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium.
What is the SMILES notation for acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium?
The canonical SMILES for acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium is C=CCCCCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OCCCCC=C)c1.C=CCCCCOC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)OCCCCC=C)c1.C=CCCCCOC(=O)c1cc(C(=O)OCCCCC=C)cc(-c2ccc(-c3ccc(-c4ccc(-c5cc(C(=O)OCCCCC=C)cc(C(=O)OCCCCC=C)c5)cc4)cc3)cc2)c1.CC(=O)O.CC(=O)O.Ic1ccc(-c2ccc(-c3ccc(I)cc3)cc2)cc1.[Pd].
What is the InChIKey of acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium?
The InChIKey is KHTWHZVCJJMSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H62O8.2C26H37BO6.C18H12I2.2C2H4O2.Pd/c1-5-9-13-17-33-63-55(59)51-37-49(38-52(41-51)56(60)64-34-18-14-10-6-2)47-29-25-45(26-30-47)43-21-23-44(24-22-43)46-27-31-48(32-28-46)50-39-53(57(61)65-35-19-15-11-7-3)42-54(40-50)58(62)66-36-20-16-12-8-4;2*1-7-9-11-13-15-30-23(28)20-17-21(24(29)31-16-14-12-10-8-2)19-22(18-20)27-32-25(3,4)26(5,6)33-27;19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16;2*1-2(3)4;/h5-8,21-32,37-42H,1-4,9-20,33-36H2;2*7-8,17-19H,1-2,9-16H2,3-6H3;1-12H;2*1H3,(H,3,4);.
What are the key properties of acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium?
acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium has a molecular weight of 2508.53 g/mol, XLogP of 30.84, 56 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(hex-5-enyl) 5-[4-[4-[4-[3,5-bis(hex-5-enoxycarbonyl)phenyl]phenyl]phenyl]phenyl]benzene-1,3-dicarboxylate;bis(bis(hex-5-enyl) 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate);1,4-bis(4-iodophenyl)benzene;palladium is sourced from PubChem (CID 157320394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).