dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)

C233H259BBrK2N4O5P4PdS10+ — CID 159808573

IUPACdipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(Cc6sc(-c7cc(CCCCCC)cs7)cc6CCCCCC)s5)c5nsnc45)s3)cc21.CCCCCCc1csc(-c2cc(CCCCCC)c(Br)s2)c1.Cc1ccccc1.O=CO[O-].[CH2+]C1(C)OB(c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCCCCCC)(CCCCCCCCCC)c5cc(-c7ccccc7)ccc5-6)s4)c4nsnc34)s2)OC1(C)C.[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C74H90N2S5.C59H70BN2O2S3.C20H29BrS2.4C18H15P.C7H8.CH2O3.2K.Pd.H/c1-5-9-13-17-19-21-23-30-46-74(47-31-24-22-20-18-14-10-6-2)64-49-56(55-33-28-25-29-34-55)36-39-60(64)61-40-37-58(50-65(61)74)66-44-45-68(79-66)63-42-41-62(72-73(63)76-81-75-72)67-43-38-59(78-67)52-69-57(35-27-16-12-8-4)51-71(80-69)70-48-54(53-77-70)32-26-15-11-7-3;1-7-9-11-13-15-17-19-24-38-59(39-25-20-18-16-14-12-10-8-2)49-40-43(42-26-22-21-23-27-42)28-30-45(49)46-31-29-44(41-50(46)59)51-34-35-52(65-51)47-32-33-48(56-55(47)61-67-62-56)53-36-37-54(66-53)60-63-57(3,4)58(5,6)64-60;1-3-5-7-9-11-16-13-18(22-15-16)19-14-17(20(21)23-19)12-10-8-6-4-2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2-1-4-3;;;;/h25,28-29,33-34,36-45,48-51,53H,5-24,26-27,30-32,35,46-47,52H2,1-4H3;21-23,26-37,40-41H,3,7-20,24-25,38-39H2,1-2,4-6H3;13-15H,3-12H2,1-2H3;4*1-15H;2-6H,1H3;1,3H;;;;/q;+1;;;;;;;;2*+1;;-1/p-1
InChIKeyFHOFMUFEWXGSRP-UHFFFAOYSA-M
MW3915.56 g/mol
LogP60.17
Rot. Bonds82

About dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)

dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) (PubChem CID 159808573) has the molecular formula C233H259BBrK2N4O5P4PdS10+ and a molecular weight of 3915.56 g/mol. Its IUPAC name is dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
PubChem CID159808573
Molecular FormulaC233H259BBrK2N4O5P4PdS10+
Molecular Weight3915.56 g/mol
Exact Mass3910.39
IUPAC Namedipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(Cc6sc(-c7cc(CCCCCC)cs7)cc6CCCCCC)s5)c5nsnc45)s3)cc21.CCCCCCc1csc(-c2cc(CCCCCC)c(Br)s2)c1.Cc1ccccc1.O=CO[O-].[CH2+]C1(C)OB(c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCCCCCC)(CCCCCCCCCC)c5cc(-c7ccccc7)ccc5-6)s4)c4nsnc34)s2)OC1(C)C.[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C74H90N2S5.C59H70BN2O2S3.C20H29BrS2.4C18H15P.C7H8.CH2O3.2K.Pd.H/c1-5-9-13-17-19-21-23-30-46-74(47-31-24-22-20-18-14-10-6-2)64-49-56(55-33-28-25-29-34-55)36-39-60(64)61-40-37-58(50-65(61)74)66-44-45-68(79-66)63-42-41-62(72-73(63)76-81-75-72)67-43-38-59(78-67)52-69-57(35-27-16-12-8-4)51-71(80-69)70-48-54(53-77-70)32-26-15-11-7-3;1-7-9-11-13-15-17-19-24-38-59(39-25-20-18-16-14-12-10-8-2)49-40-43(42-26-22-21-23-27-42)28-30-45(49)46-31-29-44(41-50(46)59)51-34-35-52(65-51)47-32-33-48(56-55(47)61-67-62-56)53-36-37-54(66-53)60-63-57(3,4)58(5,6)64-60;1-3-5-7-9-11-16-13-18(22-15-16)19-14-17(20(21)23-19)12-10-8-6-4-2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2-1-4-3;;;;/h25,28-29,33-34,36-45,48-51,53H,5-24,26-27,30-32,35,46-47,52H2,1-4H3;21-23,26-37,40-41H,3,7-20,24-25,38-39H2,1-2,4-6H3;13-15H,3-12H2,1-2H3;4*1-15H;2-6H,1H3;1,3H;;;;/q;+1;;;;;;;;2*+1;;-1/p-1
InChIKeyFHOFMUFEWXGSRP-UHFFFAOYSA-M
XLogP60.17
TPSA119.38 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds82
Heavy Atoms261
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003915.56
LogP ≤ 560.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) (CID 159808573) is dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) is CCCCCCCCCCC1(CCCCCCCCCC)c2cc(-c3ccccc3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(Cc6sc(-c7cc(CCCCCC)cs7)cc6CCCCCC)s5)c5nsnc45)s3)cc21.CCCCCCc1csc(-c2cc(CCCCCC)c(Br)s2)c1.Cc1ccccc1.O=CO[O-].[CH2+]C1(C)OB(c2ccc(-c3ccc(-c4ccc(-c5ccc6c(c5)C(CCCCCCCCCC)(CCCCCCCCCC)c5cc(-c7ccccc7)ccc5-6)s4)c4nsnc34)s2)OC1(C)C.[H-].[K+].[K+].[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 dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
The InChIKey is FHOFMUFEWXGSRP-UHFFFAOYSA-M. The full InChI is InChI=1S/C74H90N2S5.C59H70BN2O2S3.C20H29BrS2.4C18H15P.C7H8.CH2O3.2K.Pd.H/c1-5-9-13-17-19-21-23-30-46-74(47-31-24-22-20-18-14-10-6-2)64-49-56(55-33-28-25-29-34-55)36-39-60(64)61-40-37-58(50-65(61)74)66-44-45-68(79-66)63-42-41-62(72-73(63)76-81-75-72)67-43-38-59(78-67)52-69-57(35-27-16-12-8-4)51-71(80-69)70-48-54(53-77-70)32-26-15-11-7-3;1-7-9-11-13-15-17-19-24-38-59(39-25-20-18-16-14-12-10-8-2)49-40-43(42-26-22-21-23-27-42)28-30-45(49)46-31-29-44(41-50(46)59)51-34-35-52(65-51)47-32-33-48(56-55(47)61-67-62-56)53-36-37-54(66-53)60-63-57(3,4)58(5,6)64-60;1-3-5-7-9-11-16-13-18(22-15-16)19-14-17(20(21)23-19)12-10-8-6-4-2;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;2-1-4-3;;;;/h25,28-29,33-34,36-45,48-51,53H,5-24,26-27,30-32,35,46-47,52H2,1-4H3;21-23,26-37,40-41H,3,7-20,24-25,38-39H2,1-2,4-6H3;13-15H,3-12H2,1-2H3;4*1-15H;2-6H,1H3;1,3H;;;;/q;+1;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) has a molecular weight of 3915.56 g/mol, XLogP of 60.17, 82 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-[[3-hexyl-5-(4-hexylthiophen-2-yl)thiophen-2-yl]methyl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9,9-didecyl-7-phenylfluoren-2-yl)thiophen-2-yl]-7-[5-(4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]-2,1,3-benzothiadiazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) is sourced from PubChem (CID 159808573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).