4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline

C28H24N2 — CID 22124141

IUPAC4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
SMILESNc1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C28H24N2/c29-25-15-11-23(12-16-25)28(24-13-17-26(30)18-14-24)20-19-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-20H,29-30H2
InChIKeyFJKBIOZDWQMQPU-UHFFFAOYSA-N
MW388.51 g/mol
LogP6.41
Rot. Bonds5

About 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline

4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline (PubChem CID 22124141) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline.

Molecular Properties

Compound Name4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
PubChem CID22124141
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline
SMILESNc1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C28H24N2/c29-25-15-11-23(12-16-25)28(24-13-17-26(30)18-14-24)20-19-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-20H,29-30H2
InChIKeyFJKBIOZDWQMQPU-UHFFFAOYSA-N
XLogP6.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
(4-aminophenyl)-phenylmethanone
CID 14346
4-[(1E,3E)-1,4-diphenyl-4-[4-(N-phenylanilino)phenyl]buta-1,3-dienyl]-N,N-diphenylaniline
CID 59084118
4-[(Z)-N-[(Z)-[(4-aminophenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]aniline
CID 6871279
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555
1-phenylbuta-1,3-dienylbenzene;samarium
CID 173396801
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
N-ethyl-4-[1-[4-[ethyl(methyl)amino]phenyl]-4,4-diphenylbuta-1,3-dienyl]-N-methylaniline
CID 23526005
N,N-dibenzyl-4-(1,4,4-triphenylbuta-1,3-dienyl)aniline
CID 76569660
[(1E)-1-iodo-4,4-diphenylbuta-1,3-dienyl]-trimethylsilane
CID 10250621
2-(2,2-diphenylethenyl)aniline
CID 18963673
N,N-dipropyl-4-(1,4,4-triphenylbuta-1,3-dienyl)aniline
CID 59086832

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline?
The IUPAC name of 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline (CID 22124141) is 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline.
What is the SMILES notation for 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline?
The canonical SMILES for 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline is Nc1ccc(C(=CC=C(c2ccccc2)c2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline?
The InChIKey is FJKBIOZDWQMQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c29-25-15-11-23(12-16-25)28(24-13-17-26(30)18-14-24)20-19-27(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-20H,29-30H2.
What are the key properties of 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline?
4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline has a molecular weight of 388.51 g/mol, XLogP of 6.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-aminophenyl)-4,4-diphenylbuta-1,3-dienyl]aniline is sourced from PubChem (CID 22124141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).