4-[tris(4-aminophenyl)methyl]aniline

C25H24N4 — CID 11825069

IUPAC4-[tris(4-aminophenyl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2
InChIKeyLNHGLSRCOBIHNV-UHFFFAOYSA-N
MW380.50 g/mol
LogP4.40
Rot. Bonds4

About 4-[tris(4-aminophenyl)methyl]aniline

4-[tris(4-aminophenyl)methyl]aniline (PubChem CID 11825069) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 4-[tris(4-aminophenyl)methyl]aniline.

Molecular Properties

Compound Name4-[tris(4-aminophenyl)methyl]aniline
PubChem CID11825069
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name4-[tris(4-aminophenyl)methyl]aniline
SMILESNc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2
InChIKeyLNHGLSRCOBIHNV-UHFFFAOYSA-N
XLogP4.40
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[tris(4-aminophenyl)methyl]aniline?
The IUPAC name of 4-[tris(4-aminophenyl)methyl]aniline (CID 11825069) is 4-[tris(4-aminophenyl)methyl]aniline.
What is the SMILES notation for 4-[tris(4-aminophenyl)methyl]aniline?
The canonical SMILES for 4-[tris(4-aminophenyl)methyl]aniline is Nc1ccc(C(c2ccc(N)cc2)(c2ccc(N)cc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[tris(4-aminophenyl)methyl]aniline?
The InChIKey is LNHGLSRCOBIHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c26-21-9-1-17(2-10-21)25(18-3-11-22(27)12-4-18,19-5-13-23(28)14-6-19)20-7-15-24(29)16-8-20/h1-16H,26-29H2.
What are the key properties of 4-[tris(4-aminophenyl)methyl]aniline?
4-[tris(4-aminophenyl)methyl]aniline has a molecular weight of 380.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tris(4-aminophenyl)methyl]aniline is sourced from PubChem (CID 11825069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).