dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)

C177H140BBrK2O5P4Pd — CID 160538880

IUPACdipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)
SMILESBrc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.O=CO[O-].OB(O)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.[H-].[K+].[K+].[Pd].c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H38.C26H21BO2.C26H19Br.4C18H15P.CH2O3.2K.Pd.H/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42)51(45-27-15-5-16-28-45)47-35-31-39(32-36-47)40-33-37-48(38-34-40)52(46-29-17-6-18-30-46)50(43-23-11-3-12-24-43)44-25-13-4-14-26-44;28-27(29)24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21;27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-38H;1-19,28-29H;1-19H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyGAQHFQYVNNBTLH-UHFFFAOYSA-M
MW2746.29 g/mol
LogP31.53
Rot. Bonds31

About dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)

dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane) (PubChem CID 160538880) has the molecular formula C177H140BBrK2O5P4Pd and a molecular weight of 2746.29 g/mol. Its IUPAC name is dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane).

Molecular Properties

Compound Namedipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)
PubChem CID160538880
Molecular FormulaC177H140BBrK2O5P4Pd
Molecular Weight2746.29 g/mol
Exact Mass2742.72
IUPAC Namedipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)
SMILESBrc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.O=CO[O-].OB(O)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.[H-].[K+].[K+].[Pd].c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C52H38.C26H21BO2.C26H19Br.4C18H15P.CH2O3.2K.Pd.H/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42)51(45-27-15-5-16-28-45)47-35-31-39(32-36-47)40-33-37-48(38-34-40)52(46-29-17-6-18-30-46)50(43-23-11-3-12-24-43)44-25-13-4-14-26-44;28-27(29)24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21;27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-38H;1-19,28-29H;1-19H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1
InChIKeyGAQHFQYVNNBTLH-UHFFFAOYSA-M
XLogP31.53
TPSA89.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds31
Heavy Atoms191
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002746.29
LogP ≤ 531.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane) with MolForge

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Frequently Asked Questions

What is the IUPAC name of dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)?
The IUPAC name of dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane) (CID 160538880) is dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane).
What is the SMILES notation for dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)?
The canonical SMILES for dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane) is Brc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.O=CO[O-].OB(O)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1.[H-].[K+].[K+].[Pd].c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2)c2ccccc2)cc1.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;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)?
The InChIKey is GAQHFQYVNNBTLH-UHFFFAOYSA-M. The full InChI is InChI=1S/C52H38.C26H21BO2.C26H19Br.4C18H15P.CH2O3.2K.Pd.H/c1-7-19-41(20-8-1)49(42-21-9-2-10-22-42)51(45-27-15-5-16-28-45)47-35-31-39(32-36-47)40-33-37-48(38-34-40)52(46-29-17-6-18-30-46)50(43-23-11-3-12-24-43)44-25-13-4-14-26-44;28-27(29)24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21;27-24-18-16-23(17-19-24)26(22-14-8-3-9-15-22)25(20-10-4-1-5-11-20)21-12-6-2-7-13-21;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1-4-3;;;;/h1-38H;1-19,28-29H;1-19H;4*1-15H;1,3H;;;;/q;;;;;;;;2*+1;;-1/p-1.
What are the key properties of dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane)?
dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane) has a molecular weight of 2746.29 g/mol, XLogP of 31.53, 31 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;1-bromo-4-(1,2,2-triphenylethenyl)benzene;hydride;oxido formate;palladium;[4-(1,2,2-triphenylethenyl)phenyl]boronic acid;1-(1,2,2-triphenylethenyl)-4-[4-(1,2,2-triphenylethenyl)phenyl]benzene;tetrakis(triphenylphosphane) is sourced from PubChem (CID 160538880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).