aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline

C45H36ClN5 — CID 159605340

IUPACaniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline
SMILESClc1cccc(-c2ccccn2)c1.Nc1ccccc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N3.C11H8ClN.C6H7N/c1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;7-6-4-2-1-3-5-6/h1-21H;1-8H;1-5H,7H2
InChIKeyMLZVTVJERHABBB-UHFFFAOYSA-N
MW682.27 g/mol
LogP11.95
Rot. Bonds6

About aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline

aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline (PubChem CID 159605340) has the molecular formula C45H36ClN5 and a molecular weight of 682.27 g/mol. Its IUPAC name is aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline.

Molecular Properties

Compound Nameaniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline
PubChem CID159605340
Molecular FormulaC45H36ClN5
Molecular Weight682.27 g/mol
Exact Mass681.27
IUPAC Nameaniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline
SMILESClc1cccc(-c2ccccn2)c1.Nc1ccccc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1
InChIInChI=1S/C28H21N3.C11H8ClN.C6H7N/c1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;7-6-4-2-1-3-5-6/h1-21H;1-8H;1-5H,7H2
InChIKeyMLZVTVJERHABBB-UHFFFAOYSA-N
XLogP11.95
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.27
LogP ≤ 511.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,3,5-triphenyl-N-[3-(3-pyridin-2-ylphenyl)phenyl]aniline
CID 140587043
aniline;4-(3-chlorophenyl)-1-(2,6-dimethylphenyl)imidazole;3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-N-[3-[1-(2,6-dimethylphenyl)imidazol-4-yl]phenyl]-N-phenylaniline
CID 160839362
3-N-[3-(3-aminophenyl)phenyl]-5-chloro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 166853433
3-(4-aminophenyl)-N,N-diphenylaniline
CID 155173574
N-phenyl-3-pyrimidin-2-yl-N-(3-pyrimidin-2-ylphenyl)aniline
CID 157447989
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
CID 23135801
N-[3-([1]benzothiolo[2,3-c]pyridin-3-yl)phenyl]-N-phenyl-3-pyridin-2-ylaniline
CID 140881748
2-(3-chlorophenyl)-3-pyridin-2-ylpyridine
CID 90094366
4-(2,3,6-triphenyl-4,5-dipyridin-2-ylphenyl)aniline
CID 132567607
N-(4-chlorophenyl)-3-phenyl-N-(3-phenylphenyl)aniline
CID 123790773
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2,4,6-trimethyl-N-(3-phenyl-5-pyridin-2-ylphenyl)-N-(3-pyridin-2-ylphenyl)aniline
CID 140758620

Frequently Asked Questions

What is the IUPAC name of aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline?
The IUPAC name of aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline (CID 159605340) is aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline.
What is the SMILES notation for aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline?
The canonical SMILES for aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline is Clc1cccc(-c2ccccn2)c1.Nc1ccccc1.c1ccc(N(c2cccc(-c3ccccn3)c2)c2cccc(-c3ccccn3)c2)cc1.
What is the InChIKey of aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline?
The InChIKey is MLZVTVJERHABBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3.C11H8ClN.C6H7N/c1-2-12-24(13-3-1)31(25-14-8-10-22(20-25)27-16-4-6-18-29-27)26-15-9-11-23(21-26)28-17-5-7-19-30-28;12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;7-6-4-2-1-3-5-6/h1-21H;1-8H;1-5H,7H2.
What are the key properties of aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline?
aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline has a molecular weight of 682.27 g/mol, XLogP of 11.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-(3-chlorophenyl)pyridine;N-phenyl-3-pyridin-2-yl-N-(3-pyridin-2-ylphenyl)aniline is sourced from PubChem (CID 159605340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).