dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)

C220H243BBrK2N6O5P4PdS10+ — CID 158335080

About dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)

dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) (PubChem CID 158335080) has the molecular formula C220H243BBrK2N6O5P4PdS10+ and a molecular weight of 3771.30 g/mol. Its IUPAC name is dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane).

Molecular Properties

• Compound Name: dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
• PubChem CID: 158335080
• Molecular Formula: C220H243BBrK2N6O5P4PdS10+
• Molecular Weight: 3771.30 g/mol
• Exact Mass: 3766.27
• IUPAC Name: dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
• SMILES: CCCCCCCCC(CCCCCCCC)n1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C6=CC=[C+]C=C6)s5)c5nsnc45)s3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(Cc6sc(-c7cc(CCCCCC)cs7)cc6CCCCCC)s5)c5nsnc45)s3)cc21.CCCCCCc1csc(-c2cc(CCCCCC)c(Br)s2)c1.Cc1ccccc1.O=CO[O-].[H-].[K+].[K+].[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C65H81N3S5.C55H63BN3O2S3.C20H29BrS2.4C18H15P.C7H8.CH2O3.2K.Pd.H/c1-6-10-14-18-20-24-28-50(29-25-21-19-15-11-7-2)68-56-40-46(5)30-33-52(56)53-34-31-49(42-57(53)68)58-38-39-60(71-58)55-36-35-54(64-65(55)67-73-66-64)59-37-32-51(70-59)44-61-48(27-23-17-13-9-4)43-63(72-61)62-41-47(45-69-62)26-22-16-12-8-3;1-7-9-11-13-15-20-24-41(25-21-16-14-12-10-8-2)59-46-36-39(26-28-42(46)43-29-27-40(37-47(43)59)56-60-54(3,4)55(5,6)61-56)49-33-35-51(63-49)45-31-30-44(52-53(45)58-64-57-52)50-34-32-48(62-50)38-22-18-17-19-23-38;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;;;;/h30-43,45,50H,6-29,44H2,1-5H3;18-19,22-23,26-37,41H,7-16,20-21,24-25H2,1-6H3;13-15H,3-12H2,1-2H3;4*1-15H;2-6H,1H3;1,3H;;;;/q;+1;;;;;;;;2*+1;;-1/p-1
• InChIKey: LGSLPEDTQCQTKU-UHFFFAOYSA-M
• XLogP: 56.29
• TPSA: 129.24 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 75
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3771.30
LogP ≤ 5	56.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?

The IUPAC name of dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) (CID 158335080) is dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane).

What is the SMILES notation for dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?

The canonical SMILES for dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) is CCCCCCCCC(CCCCCCCC)n1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(C6=CC=[C+]C=C6)s5)c5nsnc45)s3)cc21.CCCCCCCCC(CCCCCCCC)n1c2cc(C)ccc2c2ccc(-c3ccc(-c4ccc(-c5ccc(Cc6sc(-c7cc(CCCCCC)cs7)cc6CCCCCC)s5)c5nsnc45)s3)cc21.CCCCCCc1csc(-c2cc(CCCCCC)c(Br)s2)c1.Cc1ccccc1.O=CO[O-].[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;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?

The InChIKey is LGSLPEDTQCQTKU-UHFFFAOYSA-M. The full InChI is InChI=1S/C65H81N3S5.C55H63BN3O2S3.C20H29BrS2.4C18H15P.C7H8.CH2O3.2K.Pd.H/c1-6-10-14-18-20-24-28-50(29-25-21-19-15-11-7-2)68-56-40-46(5)30-33-52(56)53-34-31-49(42-57(53)68)58-38-39-60(71-58)55-36-35-54(64-65(55)67-73-66-64)59-37-32-51(70-59)44-61-48(27-23-17-13-9-4)43-63(72-61)62-41-47(45-69-62)26-22-16-12-8-3;1-7-9-11-13-15-20-24-41(25-21-16-14-12-10-8-2)59-46-36-39(26-28-42(46)43-29-27-40(37-47(43)59)56-60-54(3,4)55(5,6)61-56)49-33-35-51(63-49)45-31-30-44(52-53(45)58-64-57-52)50-34-32-48(62-50)38-22-18-17-19-23-38;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;;;;/h30-43,45,50H,6-29,44H2,1-5H3;18-19,22-23,26-37,41H,7-16,20-21,24-25H2,1-6H3;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;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?

dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) has a molecular weight of 3771.30 g/mol, XLogP of 56.29, 75 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;2-bromo-3-hexyl-5-(4-hexylthiophen-2-yl)thiophene;7-[5-(cyclohexatrienyl)thiophen-2-yl]-4-[5-[9-heptadecan-9-yl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazol-2-yl]thiophen-2-yl]-2,1,3-benzothiadiazole;4-[5-(9-heptadecan-9-yl-7-methylcarbazol-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;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158335080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).