4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline

C38H40N2 — CID 22921039

IUPAC4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
SMILESCCCCc1cc(Cc2ccc(Cc3ccc(Cc4ccc(N)cc4)cc3)cc2)ccc1Cc1ccc(N)cc1
InChIInChI=1S/C38H40N2/c1-2-3-4-35-27-34(13-18-36(35)26-33-16-21-38(40)22-17-33)25-31-11-9-29(10-12-31)23-28-5-7-30(8-6-28)24-32-14-19-37(39)20-15-32/h5-22,27H,2-4,23-26,39-40H2,1H3
InChIKeyOXKSLDIXNXKCFW-UHFFFAOYSA-N
MW524.75 g/mol
LogP8.56
Rot. Bonds11

About 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline

4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline (PubChem CID 22921039) has the molecular formula C38H40N2 and a molecular weight of 524.75 g/mol. Its IUPAC name is 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline.

Molecular Properties

Compound Name4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
PubChem CID22921039
Molecular FormulaC38H40N2
Molecular Weight524.75 g/mol
Exact Mass524.32
IUPAC Name4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
SMILESCCCCc1cc(Cc2ccc(Cc3ccc(Cc4ccc(N)cc4)cc3)cc2)ccc1Cc1ccc(N)cc1
InChIInChI=1S/C38H40N2/c1-2-3-4-35-27-34(13-18-36(35)26-33-16-21-38(40)22-17-33)25-31-11-9-29(10-12-31)23-28-5-7-30(8-6-28)24-32-14-19-37(39)20-15-32/h5-22,27H,2-4,23-26,39-40H2,1H3
InChIKeyOXKSLDIXNXKCFW-UHFFFAOYSA-N
XLogP8.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 58.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]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

4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22920870
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-butylphenyl]methyl]phenyl]methyl]-3-butylphenyl]methyl]aniline
CID 18976827
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-hexylphenyl]methyl]-2-hexylphenyl]methyl]phenyl]methyl]aniline
CID 22919860
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-octylphenyl]methyl]phenyl]methyl]phenyl]methyl]-2-octylphenyl]methyl]aniline
CID 22919852
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-3-octylphenyl]methyl]phenyl]methyl]aniline
CID 18976677
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-2-octylphenyl]methyl]-2-octylphenyl]methyl]phenyl]methyl]aniline
CID 22920658
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-hexylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22919912
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-2-octylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline
CID 22920512
4-[[4-[[4-[[4-[[4-[(4-aminophenyl)methyl]phenyl]methyl]-2-octylphenyl]methyl]-3-octylphenyl]methyl]phenyl]methyl]aniline
CID 18976779
4-[[4-[16-[4-[(4-aminophenyl)methyl]-3-butylphenyl]hexadecyl]-2-butylphenyl]methyl]aniline
CID 22920577
4-[[4-[6-[4-[(4-aminophenyl)methyl]-2-hexylphenyl]hexyl]-3-hexylphenyl]methyl]aniline
CID 22920742
4-[[4-[9-[4-[(4-aminophenyl)methyl]-3-butylphenyl]nonyl]-2-butylphenyl]methyl]aniline
CID 22920489

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline?
The IUPAC name of 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline (CID 22921039) is 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline.
What is the SMILES notation for 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline?
The canonical SMILES for 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline is CCCCc1cc(Cc2ccc(Cc3ccc(Cc4ccc(N)cc4)cc3)cc2)ccc1Cc1ccc(N)cc1.
What is the InChIKey of 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline?
The InChIKey is OXKSLDIXNXKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2/c1-2-3-4-35-27-34(13-18-36(35)26-33-16-21-38(40)22-17-33)25-31-11-9-29(10-12-31)23-28-5-7-30(8-6-28)24-32-14-19-37(39)20-15-32/h5-22,27H,2-4,23-26,39-40H2,1H3.
What are the key properties of 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline?
4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline has a molecular weight of 524.75 g/mol, XLogP of 8.56, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[4-[[4-[(4-aminophenyl)methyl]-3-butylphenyl]methyl]phenyl]methyl]phenyl]methyl]aniline is sourced from PubChem (CID 22921039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).