4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline

C23H20N4 — CID 86022231

IUPAC4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C23H20N4/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17/h1-14H,24-26H2
InChIKeyNOESMJBODNBEAM-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.83
Rot. Bonds3

About 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline

4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline (PubChem CID 86022231) has the molecular formula C23H20N4 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline.

Molecular Properties

Compound Name4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline
PubChem CID86022231
Molecular FormulaC23H20N4
Molecular Weight352.44 g/mol
Exact Mass352.17
IUPAC Name4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C23H20N4/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17/h1-14H,24-26H2
InChIKeyNOESMJBODNBEAM-UHFFFAOYSA-N
XLogP4.83
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-[2,6-bis(4-aminophenyl)-4-pyridinyl]-2-methoxyphenol
CID 137136041
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684
3-[6-(3-aminophenyl)-4-[4-(3,5-diphenylphenyl)phenyl]-2-pyridinyl]aniline
CID 143332124
4-(4,6-diphenylpyrimidin-2-yl)aniline
CID 629613
4-[2-(4-aminophenyl)-6-phenylpyrimidin-4-yl]aniline
CID 630837
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
4-[2-(4-aminophenyl)-6-(furan-2-yl)-4-pyridinyl]benzaldehyde
CID 145124285
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline?
The IUPAC name of 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline (CID 86022231) is 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline.
What is the SMILES notation for 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline?
The canonical SMILES for 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline is Nc1ccc(-c2cc(-c3ccc(N)cc3)nc(-c3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline?
The InChIKey is NOESMJBODNBEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17/h1-14H,24-26H2.
What are the key properties of 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline?
4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline has a molecular weight of 352.44 g/mol, XLogP of 4.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline is sourced from PubChem (CID 86022231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).