4-hexyl-N,N-diphenylaniline

C24H27N — CID 20525221

IUPAC4-hexyl-N,N-diphenylaniline
SMILESCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N/c1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3
InChIKeyOYQVWQVQPHZAEC-UHFFFAOYSA-N
MW329.49 g/mol
LogP7.28
Rot. Bonds8

About 4-hexyl-N,N-diphenylaniline

4-hexyl-N,N-diphenylaniline (PubChem CID 20525221) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-hexyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-hexyl-N,N-diphenylaniline
PubChem CID20525221
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name4-hexyl-N,N-diphenylaniline
SMILESCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H27N/c1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3
InChIKeyOYQVWQVQPHZAEC-UHFFFAOYSA-N
XLogP7.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-octadecyl-N,N-diphenylaniline
CID 162035815
N,N-diphenyl-4-tetradecylaniline
CID 170668082
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-diphenylanthracene-9,10-diamine
CID 118901482
4-hexyl-N,N-bis[4-(4-phenylbuta-1,3-dienyl)phenyl]aniline
CID 76558986
4-pentyl-N,N-bis[4-[(1E,3E)-4-phenylbuta-1,3-dienyl]phenyl]aniline
CID 134259379
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
4-N-(4-butylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 163976726
1-N,4-N-diphenyl-1-N,4-N-bis(4-propylphenyl)benzene-1,4-diamine
CID 157362668
pentadecane;pentadecylbenzene
CID 174970881
pentanonacontylbenzene
CID 165359347
octylbenzene
CID 16607

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-N,N-diphenylaniline?
The IUPAC name of 4-hexyl-N,N-diphenylaniline (CID 20525221) is 4-hexyl-N,N-diphenylaniline.
What is the SMILES notation for 4-hexyl-N,N-diphenylaniline?
The canonical SMILES for 4-hexyl-N,N-diphenylaniline is CCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-hexyl-N,N-diphenylaniline?
The InChIKey is OYQVWQVQPHZAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-2-3-4-7-12-21-17-19-24(20-18-21)25(22-13-8-5-9-14-22)23-15-10-6-11-16-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3.
What are the key properties of 4-hexyl-N,N-diphenylaniline?
4-hexyl-N,N-diphenylaniline has a molecular weight of 329.49 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-N,N-diphenylaniline is sourced from PubChem (CID 20525221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).