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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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).