3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene

C135H104BBr4N3O2P4Pd — CID 157251151

IUPAC3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene
SMILESBrc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.Brc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(Br)c3)c2)c1.OB(O)c1cccnc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H23BrN2.C24H15Br3.4C18H15P.C5H6BNO2.Pd/c35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;/h1-23H;1-15H;4*1-15H;1-4,8-9H;
InChIKeyAWJABPLEUKZNHJ-UHFFFAOYSA-N
MW2361.08 g/mol
LogP31.09
Rot. Bonds21

About 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene

3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene (PubChem CID 157251151) has the molecular formula C135H104BBr4N3O2P4Pd and a molecular weight of 2361.08 g/mol. Its IUPAC name is 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene.

Molecular Properties

Compound Name3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene
PubChem CID157251151
Molecular FormulaC135H104BBr4N3O2P4Pd
Molecular Weight2361.08 g/mol
Exact Mass2355.29
IUPAC Name3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene
SMILESBrc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.Brc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(Br)c3)c2)c1.OB(O)c1cccnc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H23BrN2.C24H15Br3.4C18H15P.C5H6BNO2.Pd/c35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;/h1-23H;1-15H;4*1-15H;1-4,8-9H;
InChIKeyAWJABPLEUKZNHJ-UHFFFAOYSA-N
XLogP31.09
TPSA79.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms150
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002361.08
LogP ≤ 531.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene with MolForge

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Related Compounds

(6-Methyl-3-pyridinyl)boronic acid;2-[3-[3-[3-(6-methyl-3-pyridinyl)phenyl]-5-[3-[5-(trifluoromethyl)-2-pyridinyl]phenyl]phenyl]phenyl]-5-(trifluoromethyl)pyridine;1,3,5-tris(3-bromophenyl)benzene
CID 157242619
5-[2-[3,5-Bis[2-[6-(3-bromo-4-fluorophenyl)-3-pyridinyl]phenyl]phenyl]phenyl]-2-(3-bromo-4-fluorophenyl)pyridine
CID 140838547
Tris(2-(3-bromophenyl)pyridine);iridium(3+)
CID 17836206
3-[3-[3-(3-Bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 52915578
3-[3-[3,5-Bis(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-bromopyridine
CID 57968029
3-[3-[3,5-Bis(3-bromophenyl)phenyl]phenyl]pyridine
CID 57968036
3-[3-[3-(3-Bromophenyl)-5-(3-phenylphenyl)phenyl]phenyl]pyridine
CID 59638587
3-[2-[3-(3-Bromophenyl)-5-(2-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
CID 67521700
3-[3-[5-(3-Bromophenyl)-3-[6-methyl-5-(2-methylpropyl)-3-pyridin-3-ylcyclohexa-1,3-dien-1-yl]cyclohexa-2,4-dien-1-yl]phenyl]pyridine
CID 91390413
3-[3-[3-(3-Bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]-5-methylpyridine
CID 91561487
4-[3-[3-Bromo-5-(3-pyridin-4-ylphenyl)phenyl]phenyl]pyridine
CID 117733222
3-[3-[3,5-Bis[3-(4,5-dibromo-3-pyridinyl)phenyl]phenyl]phenyl]-4,5-dibromopyridine
CID 118041841

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene?
The IUPAC name of 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene (CID 157251151) is 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene.
What is the SMILES notation for 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene?
The canonical SMILES for 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene is Brc1cccc(-c2cc(-c3cccc(-c4cccnc4)c3)cc(-c3cccc(-c4cccnc4)c3)c2)c1.Brc1cccc(-c2cc(-c3cccc(Br)c3)cc(-c3cccc(Br)c3)c2)c1.OB(O)c1cccnc1.[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 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene?
The InChIKey is AWJABPLEUKZNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23BrN2.C24H15Br3.4C18H15P.C5H6BNO2.Pd/c35-34-13-3-10-28(21-34)33-19-31(26-8-1-6-24(16-26)29-11-4-14-36-22-29)18-32(20-33)27-9-2-7-25(17-27)30-12-5-15-37-23-30;25-22-7-1-4-16(13-22)19-10-20(17-5-2-8-23(26)14-17)12-21(11-19)18-6-3-9-24(27)15-18;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;8-6(9)5-2-1-3-7-4-5;/h1-23H;1-15H;4*1-15H;1-4,8-9H;.
What are the key properties of 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene?
3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene has a molecular weight of 2361.08 g/mol, XLogP of 31.09, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(3-bromophenyl)-5-(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;palladium;pyridin-3-ylboronic acid;tetrakis(triphenylphosphane);1,3,5-tris(3-bromophenyl)benzene is sourced from PubChem (CID 157251151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).