4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline

C38H40N2 — CID 69347655

IUPAC4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
SMILESCCCCc1ccc(Nc2ccc(-c3ccc(-c4ccc(Nc5ccc(CCCC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H40N2/c1-3-5-7-29-9-21-35(22-10-29)39-37-25-17-33(18-26-37)31-13-15-32(16-14-31)34-19-27-38(28-20-34)40-36-23-11-30(12-24-36)8-6-4-2/h9-28,39-40H,3-8H2,1-2H3
InChIKeyQSTPOHRXIWIHAF-UHFFFAOYSA-N
MW524.75 g/mol
LogP11.19
Rot. Bonds12

About 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline

4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline (PubChem CID 69347655) has the molecular formula C38H40N2 and a molecular weight of 524.75 g/mol. Its IUPAC name is 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline.

Molecular Properties

Compound Name4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
PubChem CID69347655
Molecular FormulaC38H40N2
Molecular Weight524.75 g/mol
Exact Mass524.32
IUPAC Name4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
SMILESCCCCc1ccc(Nc2ccc(-c3ccc(-c4ccc(Nc5ccc(CCCC)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C38H40N2/c1-3-5-7-29-9-21-35(22-10-29)39-37-25-17-33(18-26-37)31-13-15-32(16-14-31)34-19-27-38(28-20-34)40-36-23-11-30(12-24-36)8-6-4-2/h9-28,39-40H,3-8H2,1-2H3
InChIKeyQSTPOHRXIWIHAF-UHFFFAOYSA-N
XLogP11.19
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.75
LogP ≤ 511.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]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-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-butyl-N-(4-tert-butylphenyl)aniline
CID 70153981
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
3-(4-butylphenyl)-4-[4-[4-(4-propan-2-ylanilino)phenyl]phenyl]-N-(4-propan-2-ylphenyl)aniline
CID 69278549
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
3,5-didecyl-N-(4-decylphenyl)aniline
CID 102438287
4-(4-hexylanilino)phenol
CID 101298409
4-(4-decylanilino)phenol
CID 101298429

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline?
The IUPAC name of 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline (CID 69347655) is 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline.
What is the SMILES notation for 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline?
The canonical SMILES for 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline is CCCCc1ccc(Nc2ccc(-c3ccc(-c4ccc(Nc5ccc(CCCC)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline?
The InChIKey is QSTPOHRXIWIHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N2/c1-3-5-7-29-9-21-35(22-10-29)39-37-25-17-33(18-26-37)31-13-15-32(16-14-31)34-19-27-38(28-20-34)40-36-23-11-30(12-24-36)8-6-4-2/h9-28,39-40H,3-8H2,1-2H3.
What are the key properties of 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline?
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline has a molecular weight of 524.75 g/mol, XLogP of 11.19, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline is sourced from PubChem (CID 69347655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).