5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)

C102H86BBrN4O2P4Pd — CID 158613435

IUPAC5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)
SMILESNc1ccc(-c2cccc3ccccc23)cn1.Nc1ccc(Br)cn1.OB(O)c1cccc2ccccc12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C15H12N2.C10H9BO2.C5H5BrN2.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-15-9-8-12(10-17-15)14-7-3-5-11-4-1-2-6-13(11)14;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;6-4-1-2-5(7)8-3-4;/h4*1-15H;1-10H,(H2,16,17);1-7,12-13H;1-3H,(H2,7,8);
InChIKeyHXCOOCYWCQUWKX-UHFFFAOYSA-N
MW1720.87 g/mol
LogP19.21
Rot. Bonds14

About 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)

5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane) (PubChem CID 158613435) has the molecular formula C102H86BBrN4O2P4Pd and a molecular weight of 1720.87 g/mol. Its IUPAC name is 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)
PubChem CID158613435
Molecular FormulaC102H86BBrN4O2P4Pd
Molecular Weight1720.87 g/mol
Exact Mass1718.40
IUPAC Name5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)
SMILESNc1ccc(-c2cccc3ccccc23)cn1.Nc1ccc(Br)cn1.OB(O)c1cccc2ccccc12.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C18H15P.C15H12N2.C10H9BO2.C5H5BrN2.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-15-9-8-12(10-17-15)14-7-3-5-11-4-1-2-6-13(11)14;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;6-4-1-2-5(7)8-3-4;/h4*1-15H;1-10H,(H2,16,17);1-7,12-13H;1-3H,(H2,7,8);
InChIKeyHXCOOCYWCQUWKX-UHFFFAOYSA-N
XLogP19.21
TPSA118.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001720.87
LogP ≤ 519.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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
(6-Amino-3-pyridinyl)boronic acid;1-bromo-3-tert-butylbenzene;5-(3-tert-butylphenyl)pyridin-2-amine
CID 157322591
1-bromo-4-iodobenzene;9-(4-bromophenyl)-10-phenylanthracene;(10-phenylanthracen-9-yl)boronic acid;N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]pyridin-2-amine;N-phenylpyridin-2-amine
CID 157517323
1-bromo-4-iodobenzene;9-(4-bromophenyl)-10-phenylanthracene;5-methyl-N-phenyl-N-[4-(10-phenylanthracen-9-yl)phenyl]pyridin-2-amine;5-methyl-N-phenylpyridin-2-amine;(10-phenylanthracen-9-yl)boronic acid
CID 157636189
9-(3-Bromophenyl)-10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracene;pyridin-4-ylboronic acid;4-[3-[10-[3-(2,3,4,5-tetraphenylphenyl)phenyl]anthracen-9-yl]phenyl]pyridine
CID 157641349
(6-Amino-3-pyridinyl)boronic acid;1-bromo-3-phenylbenzene;5-(3-phenylphenyl)pyridin-2-amine
CID 157886860
N-(4-bromophenyl)-N-phenylpyridin-2-amine;(10-naphthalen-1-ylanthracen-9-yl)boronic acid;N-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-N-phenylpyridin-2-amine
CID 158028545
(6-Amino-3-pyridinyl)boronic acid;1-bromo-3-cyclobutylbenzene;5-(3-cyclobutylphenyl)pyridin-2-amine
CID 158373637
(6-Amino-3-pyridinyl)boronic acid;1-bromo-3-cyclopropylbenzene;5-(3-cyclopropylphenyl)pyridin-2-amine
CID 158623684
5-Bromo-2-(1,4-diphenyltriphenylen-2-yl)pyridine;2-(1,4-diphenyltriphenylen-2-yl)-5-phenylpyridine;phenylboronic acid
CID 159500831
3-Bromopyridine;methane;palladium;(2-phenylphenyl)boronic acid;3-(2-phenylphenyl)pyridine;tetrakis(triphenylphosphane)
CID 159541792
5-Bromo-6-phenylpyrazin-2-amine;naphthalen-2-ylboronic acid;5-naphthalen-2-yl-6-phenylpyrazin-2-amine
CID 159597816

Frequently Asked Questions

What is the IUPAC name of 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane) (CID 158613435) is 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane) is Nc1ccc(-c2cccc3ccccc23)cn1.Nc1ccc(Br)cn1.OB(O)c1cccc2ccccc12.[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 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)?
The InChIKey is HXCOOCYWCQUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C18H15P.C15H12N2.C10H9BO2.C5H5BrN2.Pd/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-15-9-8-12(10-17-15)14-7-3-5-11-4-1-2-6-13(11)14;12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;6-4-1-2-5(7)8-3-4;/h4*1-15H;1-10H,(H2,16,17);1-7,12-13H;1-3H,(H2,7,8);.
What are the key properties of 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane)?
5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane) has a molecular weight of 1720.87 g/mol, XLogP of 19.21, 14 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopyridin-2-amine;naphthalen-1-ylboronic acid;5-naphthalen-1-ylpyridin-2-amine;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 158613435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).