4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline

C24H28N2 — CID 87817212

IUPAC4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline
SMILESC=CCc1c(N)c(CC=C)c(CC=C)c(-c2ccc(N)cc2)c1CC=C
InChIInChI=1S/C24H28N2/c1-5-9-19-21(11-7-3)24(26)22(12-8-4)20(10-6-2)23(19)17-13-15-18(25)16-14-17/h5-8,13-16H,1-4,9-12,25-26H2
InChIKeyMSZLHYUAAHBOTI-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.43
Rot. Bonds9

About 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline

4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline (PubChem CID 87817212) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline
PubChem CID87817212
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline
SMILESC=CCc1c(N)c(CC=C)c(CC=C)c(-c2ccc(N)cc2)c1CC=C
InChIInChI=1S/C24H28N2/c1-5-9-19-21(11-7-3)24(26)22(12-8-4)20(10-6-2)23(19)17-13-15-18(25)16-14-17/h5-8,13-16H,1-4,9-12,25-26H2
InChIKeyMSZLHYUAAHBOTI-UHFFFAOYSA-N
XLogP5.43
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline?
The IUPAC name of 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline (CID 87817212) is 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline.
What is the SMILES notation for 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline?
The canonical SMILES for 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline is C=CCc1c(N)c(CC=C)c(CC=C)c(-c2ccc(N)cc2)c1CC=C.
What is the InChIKey of 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline?
The InChIKey is MSZLHYUAAHBOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-5-9-19-21(11-7-3)24(26)22(12-8-4)20(10-6-2)23(19)17-13-15-18(25)16-14-17/h5-8,13-16H,1-4,9-12,25-26H2.
What are the key properties of 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline?
4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline has a molecular weight of 344.50 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-2,3,5,6-tetrakis(prop-2-enyl)aniline is sourced from PubChem (CID 87817212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).