acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum

C195H152BBrCl6K2N8O11Pt — CID 158184246

IUPACacetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum
SMILESCC(=O)O.CC1(C)c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2Oc2c(-c3ccc(-c4ccccn4)cc3Oc3cccc(-c4ccccn4)c3)cccc21.CC1(C)c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2Oc2c(-c3ccc(-c4ccccn4)cc3Oc3cccc(-c4ccccn4)c3)cccc21.CC1(C)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Oc2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc21.Cl[Pt](Cl)(Cl)Cl.Clc1ccc(-c2ccccn2)cc1Br.Clc1ccc(-c2ccccn2)cc1Oc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.[K][K]
InChIInChI=1S/2C55H40N2O2.C39H37BO3.C22H15ClN2O.C11H7BrClN.C11H9NO.C2H4O2.4ClH.2K.Pt/c2*1-55(2)48-24-14-22-45(43-33-41(37-16-5-3-6-17-37)32-42(34-43)38-18-7-4-8-19-38)53(48)59-54-47(23-15-25-49(54)55)46-29-28-40(51-27-10-12-31-57-51)36-52(46)58-44-21-13-20-39(35-44)50-26-9-11-30-56-50;1-37(2)32-20-13-19-31(30-24-28(26-15-9-7-10-16-26)23-29(25-30)27-17-11-8-12-18-27)35(32)41-36-33(37)21-14-22-34(36)40-42-38(3,4)39(5,6)43-40;23-19-11-10-17(21-9-2-4-13-25-21)15-22(19)26-18-7-5-6-16(14-18)20-8-1-3-12-24-20;12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11;13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;1-2(3)4;;;;;;;/h2*3-36H,1-2H3;7-25H,1-6H3;1-15H;1-7H;1-8,13H;1H3,(H,3,4);4*1H;;;/q;;;;;;;;;;;;;+4/p-4
InChIKeyMKMLDIXNFKDJBX-UHFFFAOYSA-J
MW3360.11 g/mol
LogP53.78
Rot. Bonds26

About acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum

acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum (PubChem CID 158184246) has the molecular formula C195H152BBrCl6K2N8O11Pt and a molecular weight of 3360.11 g/mol. Its IUPAC name is acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum.

Molecular Properties

Compound Nameacetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum
PubChem CID158184246
Molecular FormulaC195H152BBrCl6K2N8O11Pt
Molecular Weight3360.11 g/mol
Exact Mass3353.79
IUPAC Nameacetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum
SMILESCC(=O)O.CC1(C)c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2Oc2c(-c3ccc(-c4ccccn4)cc3Oc3cccc(-c4ccccn4)c3)cccc21.CC1(C)c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2Oc2c(-c3ccc(-c4ccccn4)cc3Oc3cccc(-c4ccccn4)c3)cccc21.CC1(C)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Oc2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc21.Cl[Pt](Cl)(Cl)Cl.Clc1ccc(-c2ccccn2)cc1Br.Clc1ccc(-c2ccccn2)cc1Oc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.[K][K]
InChIInChI=1S/2C55H40N2O2.C39H37BO3.C22H15ClN2O.C11H7BrClN.C11H9NO.C2H4O2.4ClH.2K.Pt/c2*1-55(2)48-24-14-22-45(43-33-41(37-16-5-3-6-17-37)32-42(34-43)38-18-7-4-8-19-38)53(48)59-54-47(23-15-25-49(54)55)46-29-28-40(51-27-10-12-31-57-51)36-52(46)58-44-21-13-20-39(35-44)50-26-9-11-30-56-50;1-37(2)32-20-13-19-31(30-24-28(26-15-9-7-10-16-26)23-29(25-30)27-17-11-8-12-18-27)35(32)41-36-33(37)21-14-22-34(36)40-42-38(3,4)39(5,6)43-40;23-19-11-10-17(21-9-2-4-13-25-21)15-22(19)26-18-7-5-6-16(14-18)20-8-1-3-12-24-20;12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11;13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;1-2(3)4;;;;;;;/h2*3-36H,1-2H3;7-25H,1-6H3;1-15H;1-7H;1-8,13H;1H3,(H,3,4);4*1H;;;/q;;;;;;;;;;;;;+4/p-4
InChIKeyMKMLDIXNFKDJBX-UHFFFAOYSA-J
XLogP53.78
TPSA234.49 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds26
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003360.11
LogP ≤ 553.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum with MolForge

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum?
The IUPAC name of acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum (CID 158184246) is acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum.
What is the SMILES notation for acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum?
The canonical SMILES for acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum is CC(=O)O.CC1(C)c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2Oc2c(-c3ccc(-c4ccccn4)cc3Oc3cccc(-c4ccccn4)c3)cccc21.CC1(C)c2cccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)c2Oc2c(-c3ccc(-c4ccccn4)cc3Oc3cccc(-c4ccccn4)c3)cccc21.CC1(C)c2cccc(B3OC(C)(C)C(C)(C)O3)c2Oc2c(-c3cc(-c4ccccc4)cc(-c4ccccc4)c3)cccc21.Cl[Pt](Cl)(Cl)Cl.Clc1ccc(-c2ccccn2)cc1Br.Clc1ccc(-c2ccccn2)cc1Oc1cccc(-c2ccccn2)c1.Oc1cccc(-c2ccccn2)c1.[K][K].
What is the InChIKey of acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum?
The InChIKey is MKMLDIXNFKDJBX-UHFFFAOYSA-J. The full InChI is InChI=1S/2C55H40N2O2.C39H37BO3.C22H15ClN2O.C11H7BrClN.C11H9NO.C2H4O2.4ClH.2K.Pt/c2*1-55(2)48-24-14-22-45(43-33-41(37-16-5-3-6-17-37)32-42(34-43)38-18-7-4-8-19-38)53(48)59-54-47(23-15-25-49(54)55)46-29-28-40(51-27-10-12-31-57-51)36-52(46)58-44-21-13-20-39(35-44)50-26-9-11-30-56-50;1-37(2)32-20-13-19-31(30-24-28(26-15-9-7-10-16-26)23-29(25-30)27-17-11-8-12-18-27)35(32)41-36-33(37)21-14-22-34(36)40-42-38(3,4)39(5,6)43-40;23-19-11-10-17(21-9-2-4-13-25-21)15-22(19)26-18-7-5-6-16(14-18)20-8-1-3-12-24-20;12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11;13-10-5-3-4-9(8-10)11-6-1-2-7-12-11;1-2(3)4;;;;;;;/h2*3-36H,1-2H3;7-25H,1-6H3;1-15H;1-7H;1-8,13H;1H3,(H,3,4);4*1H;;;/q;;;;;;;;;;;;;+4/p-4.
What are the key properties of acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum?
acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum has a molecular weight of 3360.11 g/mol, XLogP of 53.78, 26 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(3-bromo-4-chlorophenyl)pyridine;2-[3-(2-chloro-5-pyridin-2-ylphenoxy)phenyl]pyridine;bis(2-[3-[2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-5-pyridin-2-ylphenoxy]phenyl]pyridine);2-[5-(3,5-diphenylphenyl)-9,9-dimethylxanthen-4-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;potassiopotassium;3-pyridin-2-ylphenol;tetrachloroplatinum is sourced from PubChem (CID 158184246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).