1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)

C253H348Br3Cl2CuI2O12P2Pd — CID 158171768

IUPAC1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)
SMILESBrc1ccc(I)cc1.C.C#CC1(OC(=O)C=C)CCC(C2CCC(CCC)CC2)CC1.C#CC1(OCCCCCCCCOC2(C#C)CCC(C3CCC(CCC)CC3)CC2)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OC1CCC(C2CCC(CCC)CC2)CC1C#Cc1ccc(C#CC2(OCCCCCCCCOC3(C#Cc4ccc(C#CC5(OC(=O)C=C)CCC(C6CCC(CCC)CC6)CC5)cc4)CCC(C4CCC(CCC)CC4)CC3)CCC(C3CCC(CCC)CC3)CC2)cc1.CCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3)(OCCCCCCCCOC3(C#Cc4ccc(Br)cc4)CCC(C4CCC(CCC)CC4)CC3)CC2)CC1.Cl[Pd]Cl.[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C94H134O6.C54H76Br2O2.C42H70O2.C20H30O2.2C18H15P.C6H4BrI.CH4.2ClH.Cu.HI.Pd/c1-7-19-72-31-40-80(41-32-72)84-54-63-92(64-55-84,60-51-77-25-23-76(24-26-77)39-48-88-71-87(49-50-89(88)99-90(95)11-5)83-46-37-75(22-10-4)38-47-83)97-69-17-15-13-14-16-18-70-98-93(65-56-85(57-66-93)81-42-33-73(20-8-2)34-43-81)61-52-78-27-29-79(30-28-78)53-62-94(100-91(96)12-6)67-58-86(59-68-94)82-44-35-74(21-9-3)36-45-82;1-3-11-43-13-21-47(22-14-43)49-31-37-53(38-32-49,35-29-45-17-25-51(55)26-18-45)57-41-9-7-5-6-8-10-42-58-54(36-30-46-19-27-52(56)28-20-46)39-33-50(34-40-54)48-23-15-44(12-4-2)16-24-48;1-5-15-35-17-21-37(22-18-35)39-25-29-41(7-3,30-26-39)43-33-13-11-9-10-12-14-34-44-42(8-4)31-27-40(28-32-42)38-23-19-36(16-6-2)20-24-38;1-4-7-16-8-10-17(11-9-16)18-12-14-20(6-3,15-13-18)22-19(21)5-2;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-1-3-6(8)4-2-5;;;;;;/h11-12,23-30,72-75,80-89H,5-10,13-22,31-38,40-47,49-50,54-59,63-71H2,1-4H3;17-20,25-28,43-44,47-50H,3-16,21-24,31-34,37-42H2,1-2H3;3-4,35-40H,5-6,9-34H2,1-2H3;3,5,16-18H,2,4,7-15H2,1H3;2*1-15H;1-4H;1H4;2*1H;;1H;/q;;;;;;;;;;+1;;+2/p-3
InChIKeyFXNQFEOJSQIPJD-UHFFFAOYSA-K
MW4377.89 g/mol
LogP69.10
Rot. Bonds72

About 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)

1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane) (PubChem CID 158171768) has the molecular formula C253H348Br3Cl2CuI2O12P2Pd and a molecular weight of 4377.89 g/mol. Its IUPAC name is 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane).

Molecular Properties

Compound Name1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)
PubChem CID158171768
Molecular FormulaC253H348Br3Cl2CuI2O12P2Pd
Molecular Weight4377.89 g/mol
Exact Mass4369.94
IUPAC Name1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)
SMILESBrc1ccc(I)cc1.C.C#CC1(OC(=O)C=C)CCC(C2CCC(CCC)CC2)CC1.C#CC1(OCCCCCCCCOC2(C#C)CCC(C3CCC(CCC)CC3)CC2)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OC1CCC(C2CCC(CCC)CC2)CC1C#Cc1ccc(C#CC2(OCCCCCCCCOC3(C#Cc4ccc(C#CC5(OC(=O)C=C)CCC(C6CCC(CCC)CC6)CC5)cc4)CCC(C4CCC(CCC)CC4)CC3)CCC(C3CCC(CCC)CC3)CC2)cc1.CCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3)(OCCCCCCCCOC3(C#Cc4ccc(Br)cc4)CCC(C4CCC(CCC)CC4)CC3)CC2)CC1.Cl[Pd]Cl.[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C94H134O6.C54H76Br2O2.C42H70O2.C20H30O2.2C18H15P.C6H4BrI.CH4.2ClH.Cu.HI.Pd/c1-7-19-72-31-40-80(41-32-72)84-54-63-92(64-55-84,60-51-77-25-23-76(24-26-77)39-48-88-71-87(49-50-89(88)99-90(95)11-5)83-46-37-75(22-10-4)38-47-83)97-69-17-15-13-14-16-18-70-98-93(65-56-85(57-66-93)81-42-33-73(20-8-2)34-43-81)61-52-78-27-29-79(30-28-78)53-62-94(100-91(96)12-6)67-58-86(59-68-94)82-44-35-74(21-9-3)36-45-82;1-3-11-43-13-21-47(22-14-43)49-31-37-53(38-32-49,35-29-45-17-25-51(55)26-18-45)57-41-9-7-5-6-8-10-42-58-54(36-30-46-19-27-52(56)28-20-46)39-33-50(34-40-54)48-23-15-44(12-4-2)16-24-48;1-5-15-35-17-21-37(22-18-35)39-25-29-41(7-3,30-26-39)43-33-13-11-9-10-12-14-34-44-42(8-4)31-27-40(28-32-42)38-23-19-36(16-6-2)20-24-38;1-4-7-16-8-10-17(11-9-16)18-12-14-20(6-3,15-13-18)22-19(21)5-2;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-1-3-6(8)4-2-5;;;;;;/h11-12,23-30,72-75,80-89H,5-10,13-22,31-38,40-47,49-50,54-59,63-71H2,1-4H3;17-20,25-28,43-44,47-50H,3-16,21-24,31-34,37-42H2,1-2H3;3-4,35-40H,5-6,9-34H2,1-2H3;3,5,16-18H,2,4,7-15H2,1H3;2*1-15H;1-4H;1H4;2*1H;;1H;/q;;;;;;;;;;+1;;+2/p-3
InChIKeyFXNQFEOJSQIPJD-UHFFFAOYSA-K
XLogP69.10
TPSA134.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds72
Heavy Atoms276
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004377.89
LogP ≤ 569.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)?
The IUPAC name of 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane) (CID 158171768) is 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane).
What is the SMILES notation for 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)?
The canonical SMILES for 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane) is Brc1ccc(I)cc1.C.C#CC1(OC(=O)C=C)CCC(C2CCC(CCC)CC2)CC1.C#CC1(OCCCCCCCCOC2(C#C)CCC(C3CCC(CCC)CC3)CC2)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OC1CCC(C2CCC(CCC)CC2)CC1C#Cc1ccc(C#CC2(OCCCCCCCCOC3(C#Cc4ccc(C#CC5(OC(=O)C=C)CCC(C6CCC(CCC)CC6)CC5)cc4)CCC(C4CCC(CCC)CC4)CC3)CCC(C3CCC(CCC)CC3)CC2)cc1.CCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3)(OCCCCCCCCOC3(C#Cc4ccc(Br)cc4)CCC(C4CCC(CCC)CC4)CC3)CC2)CC1.Cl[Pd]Cl.[Cu]I.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)?
The InChIKey is FXNQFEOJSQIPJD-UHFFFAOYSA-K. The full InChI is InChI=1S/C94H134O6.C54H76Br2O2.C42H70O2.C20H30O2.2C18H15P.C6H4BrI.CH4.2ClH.Cu.HI.Pd/c1-7-19-72-31-40-80(41-32-72)84-54-63-92(64-55-84,60-51-77-25-23-76(24-26-77)39-48-88-71-87(49-50-89(88)99-90(95)11-5)83-46-37-75(22-10-4)38-47-83)97-69-17-15-13-14-16-18-70-98-93(65-56-85(57-66-93)81-42-33-73(20-8-2)34-43-81)61-52-78-27-29-79(30-28-78)53-62-94(100-91(96)12-6)67-58-86(59-68-94)82-44-35-74(21-9-3)36-45-82;1-3-11-43-13-21-47(22-14-43)49-31-37-53(38-32-49,35-29-45-17-25-51(55)26-18-45)57-41-9-7-5-6-8-10-42-58-54(36-30-46-19-27-52(56)28-20-46)39-33-50(34-40-54)48-23-15-44(12-4-2)16-24-48;1-5-15-35-17-21-37(22-18-35)39-25-29-41(7-3,30-26-39)43-33-13-11-9-10-12-14-34-44-42(8-4)31-27-40(28-32-42)38-23-19-36(16-6-2)20-24-38;1-4-7-16-8-10-17(11-9-16)18-12-14-20(6-3,15-13-18)22-19(21)5-2;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-5-1-3-6(8)4-2-5;;;;;;/h11-12,23-30,72-75,80-89H,5-10,13-22,31-38,40-47,49-50,54-59,63-71H2,1-4H3;17-20,25-28,43-44,47-50H,3-16,21-24,31-34,37-42H2,1-2H3;3-4,35-40H,5-6,9-34H2,1-2H3;3,5,16-18H,2,4,7-15H2,1H3;2*1-15H;1-4H;1H4;2*1H;;1H;/q;;;;;;;;;;+1;;+2/p-3.
What are the key properties of 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane)?
1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane) has a molecular weight of 4377.89 g/mol, XLogP of 69.10, 72 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[2-[1-[8-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]benzene;1-bromo-4-iodobenzene;dichloropalladium;1-ethynyl-1-[8-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexane;[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;iodocopper;methane;[2-[2-[4-[2-[1-[8-[1-[2-[4-[2-[1-prop-2-enoyloxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoctoxy]-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] prop-2-enoate;bis(triphenylphosphane) is sourced from PubChem (CID 158171768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).