N,N-diphenyl-4-tetradecylaniline

C32H43N — CID 170668082

IUPACN,N-diphenyl-4-tetradecylaniline
SMILESCCCCCCCCCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H43N/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-29-25-27-32(28-26-29)33(30-21-16-13-17-22-30)31-23-18-14-19-24-31/h13-14,16-19,21-28H,2-12,15,20H2,1H3
InChIKeyTXPSQEHDUPBMTG-UHFFFAOYSA-N
MW441.70 g/mol
LogP10.40
Rot. Bonds16

About N,N-diphenyl-4-tetradecylaniline

N,N-diphenyl-4-tetradecylaniline (PubChem CID 170668082) has the molecular formula C32H43N and a molecular weight of 441.70 g/mol. Its IUPAC name is N,N-diphenyl-4-tetradecylaniline.

Molecular Properties

Compound NameN,N-diphenyl-4-tetradecylaniline
PubChem CID170668082
Molecular FormulaC32H43N
Molecular Weight441.70 g/mol
Exact Mass441.34
IUPAC NameN,N-diphenyl-4-tetradecylaniline
SMILESCCCCCCCCCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H43N/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-29-25-27-32(28-26-29)33(30-21-16-13-17-22-30)31-23-18-14-19-24-31/h13-14,16-19,21-28H,2-12,15,20H2,1H3
InChIKeyTXPSQEHDUPBMTG-UHFFFAOYSA-N
XLogP10.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.70
LogP ≤ 510.40
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
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 N,N-diphenyl-4-tetradecylaniline?
The IUPAC name of N,N-diphenyl-4-tetradecylaniline (CID 170668082) is N,N-diphenyl-4-tetradecylaniline.
What is the SMILES notation for N,N-diphenyl-4-tetradecylaniline?
The canonical SMILES for N,N-diphenyl-4-tetradecylaniline is CCCCCCCCCCCCCCc1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-diphenyl-4-tetradecylaniline?
The InChIKey is TXPSQEHDUPBMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43N/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-29-25-27-32(28-26-29)33(30-21-16-13-17-22-30)31-23-18-14-19-24-31/h13-14,16-19,21-28H,2-12,15,20H2,1H3.
What are the key properties of N,N-diphenyl-4-tetradecylaniline?
N,N-diphenyl-4-tetradecylaniline has a molecular weight of 441.70 g/mol, XLogP of 10.40, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-tetradecylaniline is sourced from PubChem (CID 170668082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).