4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline

C34H42N4 — CID 134463641

IUPAC4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
SMILESCCC(CC(CC(CC(C)c1ccc(N)cc1)c1ccc(N)cc1)c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C34H42N4/c1-3-24(26-6-14-32(36)15-7-26)21-30(28-10-18-34(38)19-11-28)22-29(27-8-16-33(37)17-9-27)20-23(2)25-4-12-31(35)13-5-25/h4-19,23-24,29-30H,3,20-22,35-38H2,1-2H3
InChIKeyNWAXGLGBNKSAMV-UHFFFAOYSA-N
MW506.74 g/mol
LogP8.05
Rot. Bonds11

About 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline

4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline (PubChem CID 134463641) has the molecular formula C34H42N4 and a molecular weight of 506.74 g/mol. Its IUPAC name is 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline.

Molecular Properties

Compound Name4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
PubChem CID134463641
Molecular FormulaC34H42N4
Molecular Weight506.74 g/mol
Exact Mass506.34
IUPAC Name4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
SMILESCCC(CC(CC(CC(C)c1ccc(N)cc1)c1ccc(N)cc1)c1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C34H42N4/c1-3-24(26-6-14-32(36)15-7-26)21-30(28-10-18-34(38)19-11-28)22-29(27-8-16-33(37)17-9-27)20-23(2)25-4-12-31(35)13-5-25/h4-19,23-24,29-30H,3,20-22,35-38H2,1-2H3
InChIKeyNWAXGLGBNKSAMV-UHFFFAOYSA-N
XLogP8.05
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.74
LogP ≤ 58.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
4-[4,6,8,10,12,14,16,18,20,22,24,26,28,30-tetradecakis(4-sulfonatophenyl)dotriacontan-2-yl]benzenesulfonate
CID 170529004
1-(2,6-diphenyloctan-4-yl)-4-(3,6-diphenyloctan-4-yl)benzene
CID 143858458
1-bromo-4-[1-[2-(4-butan-2-ylphenyl)propyl]-3-phenylpentyl]benzene
CID 154824840
4-(1-ethyl-3-pyridin-4-ylbutyl)pyridine
CID 18346387
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
1-methoxy-4-(4-phenylhexan-2-yl)benzene
CID 134214893
4-[5-(4-methoxyphenyl)hexan-3-yl]phenol
CID 20681979
4-(2,6-diphenyloctan-4-yl)pyridine;methane
CID 157478380
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
magnesium 4-[6-phenyl-4-(4-sulfonatophenyl)octan-2-yl]benzenesulfonate
CID 172972808

Frequently Asked Questions

What is the IUPAC name of 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline?
The IUPAC name of 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline (CID 134463641) is 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline.
What is the SMILES notation for 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline?
The canonical SMILES for 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline is CCC(CC(CC(CC(C)c1ccc(N)cc1)c1ccc(N)cc1)c1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline?
The InChIKey is NWAXGLGBNKSAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4/c1-3-24(26-6-14-32(36)15-7-26)21-30(28-10-18-34(38)19-11-28)22-29(27-8-16-33(37)17-9-27)20-23(2)25-4-12-31(35)13-5-25/h4-19,23-24,29-30H,3,20-22,35-38H2,1-2H3.
What are the key properties of 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline?
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline has a molecular weight of 506.74 g/mol, XLogP of 8.05, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline is sourced from PubChem (CID 134463641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).