1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)

C322H431Br2IO21P4PdSi — CID 162208885

IUPAC1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)
SMILESBrc1ccc(I)cc1.C#CC1(O)CCC(C2CCC(CCC)CC2)CC1.C#CC1(OC2CCCCO2)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OCCC(=O)OC1(C#Cc2ccc(C#CC3(OC(=O)CCOC(=O)C=C)CCC(C4CCC(CCC)CC4)CC3)cc2)CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3)(OC3CCCCO3)CC2)CC1.CCCC1CCC(C2CCC(C#Cc3ccc(C#CC4(OC5CCCCO5)CCC(C5CCC(CCC)CC5)CC4)cc3)(OC3CCCCO3)CC2)CC1.CCCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1.CCCC1CCC(C2CCC(O)(C#Cc3ccc(C#CC4(O)CCC(C5CCC(CCC)CC5)CC4)cc3)CC2)CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H70O8.C50H74O4.C40H58O2.C28H39BrO2.C22H36O2.C20H36OSi.4C18H15P.C17H28O.C15H26O.C6H4BrI.Pd/c1-5-9-39-15-19-43(20-16-39)45-25-33-51(34-26-45,59-49(55)29-37-57-47(53)7-3)31-23-41-11-13-42(14-12-41)24-32-52(60-50(56)30-38-58-48(54)8-4)35-27-46(28-36-52)44-21-17-40(10-6-2)18-22-44;1-3-9-39-17-21-43(22-18-39)45-27-33-49(34-28-45,53-47-11-5-7-37-51-47)31-25-41-13-15-42(16-14-41)26-32-50(54-48-12-6-8-38-52-48)35-29-46(30-36-50)44-23-19-40(10-4-2)20-24-44;1-3-5-31-11-15-35(16-12-31)37-21-27-39(41,28-22-37)25-19-33-7-9-34(10-8-33)20-26-40(42)29-23-38(24-30-40)36-17-13-32(6-4-2)14-18-36;1-2-5-22-7-11-24(12-8-22)25-16-19-28(20-17-25,31-27-6-3-4-21-30-27)18-15-23-9-13-26(29)14-10-23;1-3-7-18-9-11-19(12-10-18)20-13-15-22(4-2,16-14-20)24-21-8-5-6-17-23-21;1-5-6-17-7-9-18(10-8-17)19-11-13-20(21,14-12-19)15-16-22(2,3)4;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-14-6-8-15(9-7-14)16-10-12-17(18,4-2)13-11-16;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;7-5-1-3-6(8)4-2-5;/h7-8,11-14,39-40,43-46H,3-6,9-10,15-22,25-30,33-38H2,1-2H3;13-16,39-40,43-48H,3-12,17-24,27-30,33-38H2,1-2H3;7-10,31-32,35-38,41-42H,3-6,11-18,21-24,27-30H2,1-2H3;9-10,13-14,22,24-25,27H,2-8,11-12,16-17,19-21H2,1H3;2,18-21H,3,5-17H2,1H3;17-19,21H,5-14H2,1-4H3;4*1-15H;2,14-16,18H,3,5-13H2,1H3;12-14H,2-11H2,1H3;1-4H;
InChIKeyZSOMQWVTAXGINT-UHFFFAOYSA-N
MW5183.08 g/mol
LogP77.08
Rot. Bonds63

About 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)

1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane) (PubChem CID 162208885) has the molecular formula C322H431Br2IO21P4PdSi and a molecular weight of 5183.08 g/mol. Its IUPAC name is 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)
PubChem CID162208885
Molecular FormulaC322H431Br2IO21P4PdSi
Molecular Weight5183.08 g/mol
Exact Mass5176.78
IUPAC Name1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)
SMILESBrc1ccc(I)cc1.C#CC1(O)CCC(C2CCC(CCC)CC2)CC1.C#CC1(OC2CCCCO2)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OCCC(=O)OC1(C#Cc2ccc(C#CC3(OC(=O)CCOC(=O)C=C)CCC(C4CCC(CCC)CC4)CC3)cc2)CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3)(OC3CCCCO3)CC2)CC1.CCCC1CCC(C2CCC(C#Cc3ccc(C#CC4(OC5CCCCO5)CCC(C5CCC(CCC)CC5)CC4)cc3)(OC3CCCCO3)CC2)CC1.CCCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1.CCCC1CCC(C2CCC(O)(C#Cc3ccc(C#CC4(O)CCC(C5CCC(CCC)CC5)CC4)cc3)CC2)CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H70O8.C50H74O4.C40H58O2.C28H39BrO2.C22H36O2.C20H36OSi.4C18H15P.C17H28O.C15H26O.C6H4BrI.Pd/c1-5-9-39-15-19-43(20-16-39)45-25-33-51(34-26-45,59-49(55)29-37-57-47(53)7-3)31-23-41-11-13-42(14-12-41)24-32-52(60-50(56)30-38-58-48(54)8-4)35-27-46(28-36-52)44-21-17-40(10-6-2)18-22-44;1-3-9-39-17-21-43(22-18-39)45-27-33-49(34-28-45,53-47-11-5-7-37-51-47)31-25-41-13-15-42(16-14-41)26-32-50(54-48-12-6-8-38-52-48)35-29-46(30-36-50)44-23-19-40(10-4-2)20-24-44;1-3-5-31-11-15-35(16-12-31)37-21-27-39(41,28-22-37)25-19-33-7-9-34(10-8-33)20-26-40(42)29-23-38(24-30-40)36-17-13-32(6-4-2)14-18-36;1-2-5-22-7-11-24(12-8-22)25-16-19-28(20-17-25,31-27-6-3-4-21-30-27)18-15-23-9-13-26(29)14-10-23;1-3-7-18-9-11-19(12-10-18)20-13-15-22(4-2,16-14-20)24-21-8-5-6-17-23-21;1-5-6-17-7-9-18(10-8-17)19-11-13-20(21,14-12-19)15-16-22(2,3)4;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-14-6-8-15(9-7-14)16-10-12-17(18,4-2)13-11-16;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;7-5-1-3-6(8)4-2-5;/h7-8,11-14,39-40,43-46H,3-6,9-10,15-22,25-30,33-38H2,1-2H3;13-16,39-40,43-48H,3-12,17-24,27-30,33-38H2,1-2H3;7-10,31-32,35-38,41-42H,3-6,11-18,21-24,27-30H2,1-2H3;9-10,13-14,22,24-25,27H,2-8,11-12,16-17,19-21H2,1H3;2,18-21H,3,5-17H2,1H3;17-19,21H,5-14H2,1-4H3;4*1-15H;2,14-16,18H,3,5-13H2,1H3;12-14H,2-11H2,1H3;1-4H;
InChIKeyZSOMQWVTAXGINT-UHFFFAOYSA-N
XLogP77.08
TPSA277.03 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds63
Heavy Atoms352
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005183.08
LogP ≤ 577.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)?
The IUPAC name of 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane) (CID 162208885) is 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane).
What is the SMILES notation for 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)?
The canonical SMILES for 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane) is Brc1ccc(I)cc1.C#CC1(O)CCC(C2CCC(CCC)CC2)CC1.C#CC1(OC2CCCCO2)CCC(C2CCC(CCC)CC2)CC1.C=CC(=O)OCCC(=O)OC1(C#Cc2ccc(C#CC3(OC(=O)CCOC(=O)C=C)CCC(C4CCC(CCC)CC4)CC3)cc2)CCC(C2CCC(CCC)CC2)CC1.CCCC1CCC(C2CCC(=O)CC2)CC1.CCCC1CCC(C2CCC(C#Cc3ccc(Br)cc3)(OC3CCCCO3)CC2)CC1.CCCC1CCC(C2CCC(C#Cc3ccc(C#CC4(OC5CCCCO5)CCC(C5CCC(CCC)CC5)CC4)cc3)(OC3CCCCO3)CC2)CC1.CCCC1CCC(C2CCC(O)(C#C[Si](C)(C)C)CC2)CC1.CCCC1CCC(C2CCC(O)(C#Cc3ccc(C#CC4(O)CCC(C5CCC(CCC)CC5)CC4)cc3)CC2)CC1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)?
The InChIKey is ZSOMQWVTAXGINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H70O8.C50H74O4.C40H58O2.C28H39BrO2.C22H36O2.C20H36OSi.4C18H15P.C17H28O.C15H26O.C6H4BrI.Pd/c1-5-9-39-15-19-43(20-16-39)45-25-33-51(34-26-45,59-49(55)29-37-57-47(53)7-3)31-23-41-11-13-42(14-12-41)24-32-52(60-50(56)30-38-58-48(54)8-4)35-27-46(28-36-52)44-21-17-40(10-6-2)18-22-44;1-3-9-39-17-21-43(22-18-39)45-27-33-49(34-28-45,53-47-11-5-7-37-51-47)31-25-41-13-15-42(16-14-41)26-32-50(54-48-12-6-8-38-52-48)35-29-46(30-36-50)44-23-19-40(10-4-2)20-24-44;1-3-5-31-11-15-35(16-12-31)37-21-27-39(41,28-22-37)25-19-33-7-9-34(10-8-33)20-26-40(42)29-23-38(24-30-40)36-17-13-32(6-4-2)14-18-36;1-2-5-22-7-11-24(12-8-22)25-16-19-28(20-17-25,31-27-6-3-4-21-30-27)18-15-23-9-13-26(29)14-10-23;1-3-7-18-9-11-19(12-10-18)20-13-15-22(4-2,16-14-20)24-21-8-5-6-17-23-21;1-5-6-17-7-9-18(10-8-17)19-11-13-20(21,14-12-19)15-16-22(2,3)4;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-5-14-6-8-15(9-7-14)16-10-12-17(18,4-2)13-11-16;1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14;7-5-1-3-6(8)4-2-5;/h7-8,11-14,39-40,43-46H,3-6,9-10,15-22,25-30,33-38H2,1-2H3;13-16,39-40,43-48H,3-12,17-24,27-30,33-38H2,1-2H3;7-10,31-32,35-38,41-42H,3-6,11-18,21-24,27-30H2,1-2H3;9-10,13-14,22,24-25,27H,2-8,11-12,16-17,19-21H2,1H3;2,18-21H,3,5-17H2,1H3;17-19,21H,5-14H2,1-4H3;4*1-15H;2,14-16,18H,3,5-13H2,1H3;12-14H,2-11H2,1H3;1-4H;.
What are the key properties of 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane)?
1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane) has a molecular weight of 5183.08 g/mol, XLogP of 77.08, 63 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-iodobenzene;2-[1-[2-(4-bromophenyl)ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-ethynyl-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-ethynyl-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;1-[2-[4-[2-[1-hydroxy-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexan-1-ol;2-[1-[2-[4-[2-[1-(oxan-2-yloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl]oxyoxane;palladium;[1-[2-[4-[2-[1-(3-prop-2-enoyloxypropanoyloxy)-4-(4-propylcyclohexyl)cyclohexyl]ethynyl]phenyl]ethynyl]-4-(4-propylcyclohexyl)cyclohexyl] 3-prop-2-enoyloxypropanoate;4-(4-propylcyclohexyl)cyclohexan-1-one;4-(4-propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol;tetrakis(triphenylphosphane) is sourced from PubChem (CID 162208885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).