4-octadecyl-N,N-diphenylaniline

C36H51N — CID 162035815

IUPAC4-octadecyl-N,N-diphenylaniline
SMILESCCCCCCCCCCCCCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H51N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-29-31-36(32-30-33)37(34-25-20-17-21-26-34)35-27-22-18-23-28-35/h17-18,20-23,25-32H,2-16,19,24H2,1H3
InChIKeyKWYJCHBSUXRUCI-UHFFFAOYSA-N
MW497.81 g/mol
LogP11.96
Rot. Bonds20

About 4-octadecyl-N,N-diphenylaniline

4-octadecyl-N,N-diphenylaniline (PubChem CID 162035815) has the molecular formula C36H51N and a molecular weight of 497.81 g/mol. Its IUPAC name is 4-octadecyl-N,N-diphenylaniline.

Molecular Properties

Compound Name4-octadecyl-N,N-diphenylaniline
PubChem CID162035815
Molecular FormulaC36H51N
Molecular Weight497.81 g/mol
Exact Mass497.40
IUPAC Name4-octadecyl-N,N-diphenylaniline
SMILESCCCCCCCCCCCCCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H51N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-29-31-36(32-30-33)37(34-25-20-17-21-26-34)35-27-22-18-23-28-35/h17-18,20-23,25-32H,2-16,19,24H2,1H3
InChIKeyKWYJCHBSUXRUCI-UHFFFAOYSA-N
XLogP11.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.81
LogP ≤ 511.96
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

N,N-diphenyl-4-tetradecylaniline
CID 170668082
4-hexyl-N,N-diphenylaniline
CID 20525221
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-octadecyl-N,N-diphenylaniline?
The IUPAC name of 4-octadecyl-N,N-diphenylaniline (CID 162035815) is 4-octadecyl-N,N-diphenylaniline.
What is the SMILES notation for 4-octadecyl-N,N-diphenylaniline?
The canonical SMILES for 4-octadecyl-N,N-diphenylaniline is CCCCCCCCCCCCCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-octadecyl-N,N-diphenylaniline?
The InChIKey is KWYJCHBSUXRUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-33-29-31-36(32-30-33)37(34-25-20-17-21-26-34)35-27-22-18-23-28-35/h17-18,20-23,25-32H,2-16,19,24H2,1H3.
What are the key properties of 4-octadecyl-N,N-diphenylaniline?
4-octadecyl-N,N-diphenylaniline has a molecular weight of 497.81 g/mol, XLogP of 11.96, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-octadecyl-N,N-diphenylaniline is sourced from PubChem (CID 162035815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).