N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline

C26H25N2+ — CID 174176306

IUPACN,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline
SMILESCCC[n+]1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H25N2/c1-2-19-27-20-17-23(18-21-27)22-13-15-26(16-14-22)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,20-21H,2,19H2,1H3/q+1
InChIKeyQJEAEORWGNJESO-UHFFFAOYSA-N
MW365.50 g/mol
LogP6.52
Rot. Bonds6

About N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline

N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline (PubChem CID 174176306) has the molecular formula C26H25N2+ and a molecular weight of 365.50 g/mol. Its IUPAC name is N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline
PubChem CID174176306
Molecular FormulaC26H25N2+
Molecular Weight365.50 g/mol
Exact Mass365.20
IUPAC NameN,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline
SMILESCCC[n+]1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C26H25N2/c1-2-19-27-20-17-23(18-21-27)22-13-15-26(16-14-22)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,20-21H,2,19H2,1H3/q+1
InChIKeyQJEAEORWGNJESO-UHFFFAOYSA-N
XLogP6.52
TPSA7.12 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N,N-diphenyl-4-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;ethane
CID 143515973
N,N-diphenyl-4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino]phenyl]phenyl]anilino]phenyl]aniline
CID 19708505
1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-(N-phenylanilino)phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]benzene-1,4-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 162077719
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,N-diphenyl-4-[4-[4-(N-[4-[4-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 158321968
1-phenyl-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
CID 71338558
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline?
The IUPAC name of N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline (CID 174176306) is N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline.
What is the SMILES notation for N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline?
The canonical SMILES for N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline is CCC[n+]1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline?
The InChIKey is QJEAEORWGNJESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N2/c1-2-19-27-20-17-23(18-21-27)22-13-15-26(16-14-22)28(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-18,20-21H,2,19H2,1H3/q+1.
What are the key properties of N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline?
N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline has a molecular weight of 365.50 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline is sourced from PubChem (CID 174176306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).