2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one

C29H24N2O — CID 141027031

IUPAC2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one
SMILESNc1ccc(C(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C29H24N2O/c30-25-15-11-23(12-16-25)27(19-21-7-3-1-4-8-21)29(32)28(20-22-9-5-2-6-10-22)24-13-17-26(31)18-14-24/h1-20H,30-31H2
InChIKeyMTUJTUOYAWETTQ-UHFFFAOYSA-N
MW416.52 g/mol
LogP6.20
Rot. Bonds6

About 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one

2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one (PubChem CID 141027031) has the molecular formula C29H24N2O and a molecular weight of 416.52 g/mol. Its IUPAC name is 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one.

Molecular Properties

Compound Name2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one
PubChem CID141027031
Molecular FormulaC29H24N2O
Molecular Weight416.52 g/mol
Exact Mass416.19
IUPAC Name2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one
SMILESNc1ccc(C(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)c2ccc(N)cc2)cc1
InChIInChI=1S/C29H24N2O/c30-25-15-11-23(12-16-25)27(19-21-7-3-1-4-8-21)29(32)28(20-22-9-5-2-6-10-22)24-13-17-26(31)18-14-24/h1-20H,30-31H2
InChIKeyMTUJTUOYAWETTQ-UHFFFAOYSA-N
XLogP6.20
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,3-diphenylprop-2-enamide
CID 6016357
1-(4-aminophenyl)-2-methoxy-3-phenylprop-2-en-1-one
CID 154349590
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
2,4-bis(3-bromophenyl)-1,5-diphenylpenta-1,4-dien-3-one
CID 156774836
1,5-bis[4-(dimethylamino)phenyl]-2,4-diphenylpenta-1,4-dien-3-one
CID 66673921
(E)-3-(3-aminophenyl)-2-phenylprop-2-enoic acid
CID 102461525
1-(4-aminophenyl)-3-phenylprop-2-en-1-one;hydrochloride
CID 71348543
(4-aminophenyl)-phenylmethanone
CID 14346
(E)-6-methyl-1,2-diphenylhept-1-ene-3,4-dione
CID 102352907
(Z)-2-(4-chlorophenyl)-3-phenylprop-2-enoate
CID 7063195
3-(4-aminophenyl)-N-cyclododecyl-2-phenylprop-2-enamide
CID 54402620
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-(4-aminophenyl)-3-phenylprop-2-enoate;hydrate;hydrochloride
CID 20838548

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one?
The IUPAC name of 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one (CID 141027031) is 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one.
What is the SMILES notation for 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one?
The canonical SMILES for 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one is Nc1ccc(C(=Cc2ccccc2)C(=O)C(=Cc2ccccc2)c2ccc(N)cc2)cc1.
What is the InChIKey of 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one?
The InChIKey is MTUJTUOYAWETTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O/c30-25-15-11-23(12-16-25)27(19-21-7-3-1-4-8-21)29(32)28(20-22-9-5-2-6-10-22)24-13-17-26(31)18-14-24/h1-20H,30-31H2.
What are the key properties of 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one?
2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one has a molecular weight of 416.52 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-aminophenyl)-1,5-diphenylpenta-1,4-dien-3-one is sourced from PubChem (CID 141027031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).