4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline

C34H39N — CID 70991869

IUPAC4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
SMILESCCCCCc1ccc(-c2ccc(Nc3ccc(-c4ccc(CCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H39N/c1-3-5-7-9-27-11-15-29(16-12-27)31-19-23-33(24-20-31)35-34-25-21-32(22-26-34)30-17-13-28(14-18-30)10-8-6-4-2/h11-26,35H,3-10H2,1-2H3
InChIKeyPDXIMHKNCDTUCD-UHFFFAOYSA-N
MW461.69 g/mol
LogP10.23
Rot. Bonds12

About 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline

4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline (PubChem CID 70991869) has the molecular formula C34H39N and a molecular weight of 461.69 g/mol. Its IUPAC name is 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline.

Molecular Properties

Compound Name4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
PubChem CID70991869
Molecular FormulaC34H39N
Molecular Weight461.69 g/mol
Exact Mass461.31
IUPAC Name4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
SMILESCCCCCc1ccc(-c2ccc(Nc3ccc(-c4ccc(CCCCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C34H39N/c1-3-5-7-9-27-11-15-29(16-12-27)31-19-23-33(24-20-31)35-34-25-21-32(22-26-34)30-17-13-28(14-18-30)10-8-6-4-2/h11-26,35H,3-10H2,1-2H3
InChIKeyPDXIMHKNCDTUCD-UHFFFAOYSA-N
XLogP10.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.69
LogP ≤ 510.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-(4-butylphenyl)-N-phenylaniline
CID 141426915
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
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-pentadecyl-4-phenylbenzene
CID 57166115
N-methyl-4-nonadecylaniline
CID 175903606

Frequently Asked Questions

What is the IUPAC name of 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline?
The IUPAC name of 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline (CID 70991869) is 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline.
What is the SMILES notation for 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline?
The canonical SMILES for 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline is CCCCCc1ccc(-c2ccc(Nc3ccc(-c4ccc(CCCCC)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline?
The InChIKey is PDXIMHKNCDTUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N/c1-3-5-7-9-27-11-15-29(16-12-27)31-19-23-33(24-20-31)35-34-25-21-32(22-26-34)30-17-13-28(14-18-30)10-8-6-4-2/h11-26,35H,3-10H2,1-2H3.
What are the key properties of 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline?
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline has a molecular weight of 461.69 g/mol, XLogP of 10.23, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline is sourced from PubChem (CID 70991869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).