(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one

C36H36N2O2 — CID 177397083

IUPAC(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
SMILESO=C(/C=C(/Cc1ccccc1)NCCN/C(=C/C(=O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H36N2O2/c39-35(25-31-17-9-3-10-18-31)27-33(23-29-13-5-1-6-14-29)37-21-22-38-34(24-30-15-7-2-8-16-30)28-36(40)26-32-19-11-4-12-20-32/h1-20,27-28,37-38H,21-26H2/b33-27-,34-28+
InChIKeyAZYSHYUKJRWQOC-DENOHBPFSA-N
MW528.70 g/mol
LogP6.04
Rot. Bonds15

About (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one

(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one (PubChem CID 177397083) has the molecular formula C36H36N2O2 and a molecular weight of 528.70 g/mol. Its IUPAC name is (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
PubChem CID177397083
Molecular FormulaC36H36N2O2
Molecular Weight528.70 g/mol
Exact Mass528.28
IUPAC Name(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one
SMILESO=C(/C=C(/Cc1ccccc1)NCCN/C(=C/C(=O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C36H36N2O2/c39-35(25-31-17-9-3-10-18-31)27-33(23-29-13-5-1-6-14-29)37-21-22-38-34(24-30-15-7-2-8-16-30)28-36(40)26-32-19-11-4-12-20-32/h1-20,27-28,37-38H,21-26H2/b33-27-,34-28+
InChIKeyAZYSHYUKJRWQOC-DENOHBPFSA-N
XLogP6.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,4-diphenyl-3-(propylamino)but-2-en-1-one
CID 11414802
(E)-4-methyl-1,5-diphenylpent-3-en-2-one
CID 12877597
(E)-4-[4-[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]phenyl]-1,5-diphenylpent-3-en-2-one
CID 155301097
(Z)-4-hydroxy-5-methyl-1-phenylhex-3-en-2-one
CID 5376399
2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
N-[(E)-1-phenylbut-2-en-2-yl]acetamide
CID 174681056
bicyclo[2.2.0]hexa-1,3,5-triene;2-phenyl-N-propylacetamide
CID 175085430
1-imino-3-phenylpropan-2-one
CID 54129851
1,3-diphenyl(213C)propan-2-one
CID 100945080
3-[(Z)-2-hydrazinyl-3-phenylprop-1-enyl]-1,1-dimethylurea
CID 143866928
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
2-phenylacetic acid;propanedioic acid
CID 159349511

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one?
The IUPAC name of (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one (CID 177397083) is (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one.
What is the SMILES notation for (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one?
The canonical SMILES for (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one is O=C(/C=C(/Cc1ccccc1)NCCN/C(=C/C(=O)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one?
The InChIKey is AZYSHYUKJRWQOC-DENOHBPFSA-N. The full InChI is InChI=1S/C36H36N2O2/c39-35(25-31-17-9-3-10-18-31)27-33(23-29-13-5-1-6-14-29)37-21-22-38-34(24-30-15-7-2-8-16-30)28-36(40)26-32-19-11-4-12-20-32/h1-20,27-28,37-38H,21-26H2/b33-27-,34-28+.
What are the key properties of (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one?
(Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one has a molecular weight of 528.70 g/mol, XLogP of 6.04, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[2-[[(E)-4-oxo-1,5-diphenylpent-2-en-2-yl]amino]ethylamino]-1,5-diphenylpent-3-en-2-one is sourced from PubChem (CID 177397083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).