aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine

C56H45BrN6 — CID 158048630

IUPACaniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine
SMILESBrc1cccc(-c2ccccc2)n1.Nc1ccccc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C28H21N3.C11H8BrN.C11H9N.C6H7N/c1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6-4-2-1-3-5-6/h1-21H;1-8H;1-9H;1-5H,7H2
InChIKeyFJFDHXSYQFKQQV-UHFFFAOYSA-N
MW881.92 g/mol
LogP14.81
Rot. Bonds7

About aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine

aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine (PubChem CID 158048630) has the molecular formula C56H45BrN6 and a molecular weight of 881.92 g/mol. Its IUPAC name is aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine.

Molecular Properties

Compound Nameaniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine
PubChem CID158048630
Molecular FormulaC56H45BrN6
Molecular Weight881.92 g/mol
Exact Mass880.29
IUPAC Nameaniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine
SMILESBrc1cccc(-c2ccccc2)n1.Nc1ccccc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C28H21N3.C11H8BrN.C11H9N.C6H7N/c1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6-4-2-1-3-5-6/h1-21H;1-8H;1-9H;1-5H,7H2
InChIKeyFJFDHXSYQFKQQV-UHFFFAOYSA-N
XLogP14.81
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.92
LogP ≤ 514.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine with MolForge

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Launch Full Analysis

Related Compounds

Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
1-[3-(2-Cyclohexylaminopyridin-4-yl)[2,6]naphthyridin-1-yl]-piperidine-4-carboxylic Acid Piperidin-4-ylamide
CID 46900230
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
Cyclohexyl-{4-[1-((cis-3,5-dimethylpiperazin-1-yl)[2,6]naphthyridin-3-yl]pyridin-2-yl}amine
CID 46899903
6-[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-N-(4-methyl-2-pyridinyl)pyridin-2-amine
CID 56949221
N-(4-methyl-2-pyridinyl)-6-(2-piperazin-1-yl-4-pyridinyl)pyridin-2-amine
CID 56949223
US10253017, Example 22
CID 145866187
N4,N4,N4',N4'-Tetra(pyridin-2-yl)-[1,1'-biphenyl]-4,4'-diamine
CID 15477991
2,4,6-Tris(3'-(pyridin-2yl)biphenyl-3-yl)-1,3,5-triazine
CID 129849643
1-[5-[5-[2-(2-Fluorophenyl)-4-pyridinyl]-3-pyridinyl]-2-pyridinyl]piperazine
CID 56597469
6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-2-ylpyridin-2-amine
CID 57795087
6-[1-(4-fluorophenyl)-2,2-dipyridin-3-ylethyl]-N-pyridin-3-ylpyridin-2-amine
CID 67014297

Frequently Asked Questions

What is the IUPAC name of aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine?
The IUPAC name of aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine (CID 158048630) is aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine.
What is the SMILES notation for aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine?
The canonical SMILES for aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine is Brc1cccc(-c2ccccc2)n1.Nc1ccccc1.c1ccc(-c2cccc(N(c3ccccc3)c3cccc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2ccccn2)cc1.
What is the InChIKey of aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine?
The InChIKey is FJFDHXSYQFKQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3.C11H8BrN.C11H9N.C6H7N/c1-4-12-22(13-5-1)25-18-10-20-27(29-25)31(24-16-8-3-9-17-24)28-21-11-19-26(30-28)23-14-6-2-7-15-23;12-11-8-4-7-10(13-11)9-5-2-1-3-6-9;1-2-6-10(7-3-1)11-8-4-5-9-12-11;7-6-4-2-1-3-5-6/h1-21H;1-8H;1-9H;1-5H,7H2.
What are the key properties of aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine?
aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine has a molecular weight of 881.92 g/mol, XLogP of 14.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-bromo-6-phenylpyridine;N,6-diphenyl-N-(6-phenyl-2-pyridinyl)pyridin-2-amine;2-phenylpyridine is sourced from PubChem (CID 158048630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).