4-[3,5-bis(4-aminophenyl)phenyl]aniline

C24H21N3 — CID 12058813

IUPAC4-[3,5-bis(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)cc(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2
InChIKeyQHQSCKLPDVSEBJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.43
Rot. Bonds3

About 4-[3,5-bis(4-aminophenyl)phenyl]aniline

4-[3,5-bis(4-aminophenyl)phenyl]aniline (PubChem CID 12058813) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[3,5-bis(4-aminophenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[3,5-bis(4-aminophenyl)phenyl]aniline
PubChem CID12058813
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC Name4-[3,5-bis(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)cc(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2
InChIKeyQHQSCKLPDVSEBJ-UHFFFAOYSA-N
XLogP5.43
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[3,5-bis(4-aminophenyl)phenyl]aniline?
The IUPAC name of 4-[3,5-bis(4-aminophenyl)phenyl]aniline (CID 12058813) is 4-[3,5-bis(4-aminophenyl)phenyl]aniline.
What is the SMILES notation for 4-[3,5-bis(4-aminophenyl)phenyl]aniline?
The canonical SMILES for 4-[3,5-bis(4-aminophenyl)phenyl]aniline is Nc1ccc(-c2cc(-c3ccc(N)cc3)cc(-c3ccc(N)cc3)c2)cc1.
What is the InChIKey of 4-[3,5-bis(4-aminophenyl)phenyl]aniline?
The InChIKey is QHQSCKLPDVSEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3/c25-22-7-1-16(2-8-22)19-13-20(17-3-9-23(26)10-4-17)15-21(14-19)18-5-11-24(27)12-6-18/h1-15H,25-27H2.
What are the key properties of 4-[3,5-bis(4-aminophenyl)phenyl]aniline?
4-[3,5-bis(4-aminophenyl)phenyl]aniline has a molecular weight of 351.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(4-aminophenyl)phenyl]aniline is sourced from PubChem (CID 12058813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).