4-[2,4,5-tris(4-aminophenyl)phenyl]aniline

C30H26N4 — CID 155981974

IUPAC4-[2,4,5-tris(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)cc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C30H26N4/c31-23-9-1-19(2-10-23)27-17-29(21-5-13-25(33)14-6-21)30(22-7-15-26(34)16-8-22)18-28(27)20-3-11-24(32)12-4-20/h1-18H,31-34H2
InChIKeyZBKGCNONJIFUCB-UHFFFAOYSA-N
MW442.57 g/mol
LogP6.68
Rot. Bonds4

About 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline

4-[2,4,5-tris(4-aminophenyl)phenyl]aniline (PubChem CID 155981974) has the molecular formula C30H26N4 and a molecular weight of 442.57 g/mol. Its IUPAC name is 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline.

Molecular Properties

Compound Name4-[2,4,5-tris(4-aminophenyl)phenyl]aniline
PubChem CID155981974
Molecular FormulaC30H26N4
Molecular Weight442.57 g/mol
Exact Mass442.22
IUPAC Name4-[2,4,5-tris(4-aminophenyl)phenyl]aniline
SMILESNc1ccc(-c2cc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)cc2-c2ccc(N)cc2)cc1
InChIInChI=1S/C30H26N4/c31-23-9-1-19(2-10-23)27-17-29(21-5-13-25(33)14-6-21)30(22-7-15-26(34)16-8-22)18-28(27)20-3-11-24(32)12-4-20/h1-18H,31-34H2
InChIKeyZBKGCNONJIFUCB-UHFFFAOYSA-N
XLogP6.68
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 56.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Aminoanthracene
CID 11937
1-Aminopyrene
CID 15352
6-Aminochrysene
CID 17534
9-Aminophenanthrene
CID 13695
Xylidine
CID 56846457
Benzenamine, 4-(triphenylmethyl)-
CID 89914
2-Aminopyrene
CID 107762
4-Aminopyrene
CID 119443
4,4'-(9-Fluorenylidene)dianiline
CID 631552
2,4-Bis(p-aminobenzyl)aniline
CID 33182
3-Phenanthrylamine
CID 74691
4-(Adamantan-1-yl)aniline
CID 598544

Frequently Asked Questions

What is the IUPAC name of 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline?
The IUPAC name of 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline (CID 155981974) is 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline.
What is the SMILES notation for 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline?
The canonical SMILES for 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline is Nc1ccc(-c2cc(-c3ccc(N)cc3)c(-c3ccc(N)cc3)cc2-c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline?
The InChIKey is ZBKGCNONJIFUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4/c31-23-9-1-19(2-10-23)27-17-29(21-5-13-25(33)14-6-21)30(22-7-15-26(34)16-8-22)18-28(27)20-3-11-24(32)12-4-20/h1-18H,31-34H2.
What are the key properties of 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline?
4-[2,4,5-tris(4-aminophenyl)phenyl]aniline has a molecular weight of 442.57 g/mol, XLogP of 6.68, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4,5-tris(4-aminophenyl)phenyl]aniline is sourced from PubChem (CID 155981974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).