dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)

C190H204B3Br2K2N5O9P4PdS6 — CID 160758560

IUPACdipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
SMILESBrc1ccc(-c2ccc(-c3ccc(Br)s3)c3nsnc23)s1.CCCCCCCCC(CCCCCCCC)n1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)s5)c5nsnc45)s3)cc21.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
InChIInChI=1S/C55H63BN2O2S3.C41H65B2NO4.4C18H15P.C14H6Br2N2S3.C7H8.CH2O3.2K.Pd.H/c1-7-9-11-13-15-20-34-55(35-21-16-14-12-10-8-2)45-36-39(24-26-41(45)42-27-25-40(37-46(42)55)56-59-53(3,4)54(5,6)60-56)48-31-33-50(62-48)44-29-28-43(51-52(44)58-63-57-51)49-32-30-47(61-49)38-22-18-17-19-23-38;1-11-13-15-17-19-21-23-33(24-22-20-18-16-14-12-2)44-36-29-31(42-45-38(3,4)39(5,6)46-42)25-27-34(36)35-28-26-32(30-37(35)44)43-47-40(7,8)41(9,10)48-43;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14;1-7-5-3-2-4-6-7;2-1-4-3;;;;/h17-19,22-33,36-37H,7-16,20-21,34-35H2,1-6H3;25-30,33H,11-24H2,1-10H3;4*1-15H;1-6H;2-6H,1H3;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeySKTCVAICGXBVQE-UHFFFAOYSA-M
MW3394.91 g/mol
LogP41.98
Rot. Bonds51

About dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)

dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) (PubChem CID 160758560) has the molecular formula C190H204B3Br2K2N5O9P4PdS6 and a molecular weight of 3394.91 g/mol. Its IUPAC name is dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
PubChem CID160758560
Molecular FormulaC190H204B3Br2K2N5O9P4PdS6
Molecular Weight3394.91 g/mol
Exact Mass3389.99
IUPAC Namedipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)
SMILESBrc1ccc(-c2ccc(-c3ccc(Br)s3)c3nsnc23)s1.CCCCCCCCC(CCCCCCCC)n1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)s5)c5nsnc45)s3)cc21.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
InChIInChI=1S/C55H63BN2O2S3.C41H65B2NO4.4C18H15P.C14H6Br2N2S3.C7H8.CH2O3.2K.Pd.H/c1-7-9-11-13-15-20-34-55(35-21-16-14-12-10-8-2)45-36-39(24-26-41(45)42-27-25-40(37-46(42)55)56-59-53(3,4)54(5,6)60-56)48-31-33-50(62-48)44-29-28-43(51-52(44)58-63-57-51)49-32-30-47(61-49)38-22-18-17-19-23-38;1-11-13-15-17-19-21-23-33(24-22-20-18-16-14-12-2)44-36-29-31(42-45-38(3,4)39(5,6)46-42)25-27-34(36)35-28-26-32(30-37(35)44)43-47-40(7,8)41(9,10)48-43;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14;1-7-5-3-2-4-6-7;2-1-4-3;;;;/h17-19,22-33,36-37H,7-16,20-21,34-35H2,1-6H3;25-30,33H,11-24H2,1-10H3;4*1-15H;1-6H;2-6H,1H3;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1
InChIKeySKTCVAICGXBVQE-UHFFFAOYSA-M
XLogP41.98
TPSA161.23 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds51
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003394.91
LogP ≤ 541.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) (CID 160758560) is dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) is Brc1ccc(-c2ccc(-c3ccc(Br)s3)c3nsnc23)s1.CCCCCCCCC(CCCCCCCC)n1c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c2ccc(B3OC(C)(C)C(C)(C)O3)cc21.CCCCCCCCC1(CCCCCCCC)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccccc6)s5)c5nsnc45)s3)cc21.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;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
The InChIKey is SKTCVAICGXBVQE-UHFFFAOYSA-M. The full InChI is InChI=1S/C55H63BN2O2S3.C41H65B2NO4.4C18H15P.C14H6Br2N2S3.C7H8.CH2O3.2K.Pd.H/c1-7-9-11-13-15-20-34-55(35-21-16-14-12-10-8-2)45-36-39(24-26-41(45)42-27-25-40(37-46(42)55)56-59-53(3,4)54(5,6)60-56)48-31-33-50(62-48)44-29-28-43(51-52(44)58-63-57-51)49-32-30-47(61-49)38-22-18-17-19-23-38;1-11-13-15-17-19-21-23-33(24-22-20-18-16-14-12-2)44-36-29-31(42-45-38(3,4)39(5,6)46-42)25-27-34(36)35-28-26-32(30-37(35)44)43-47-40(7,8)41(9,10)48-43;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-11-5-3-9(19-11)7-1-2-8(10-4-6-12(16)20-10)14-13(7)17-21-18-14;1-7-5-3-2-4-6-7;2-1-4-3;;;;/h17-19,22-33,36-37H,7-16,20-21,34-35H2,1-6H3;25-30,33H,11-24H2,1-10H3;4*1-15H;1-6H;2-6H,1H3;1,3H;;;;/q;;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane)?
dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) has a molecular weight of 3394.91 g/mol, XLogP of 41.98, 51 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;4,7-bis(5-bromothiophen-2-yl)-2,1,3-benzothiadiazole;4-[5-[9,9-dioctyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)fluoren-2-yl]thiophen-2-yl]-7-(5-phenylthiophen-2-yl)-2,1,3-benzothiadiazole;9-heptadecan-9-yl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;hydride;oxido formate;palladium;toluene;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160758560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).