(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione

C22H18O2 — CID 6152775

IUPAC(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
SMILESO=C(/C=C/C=C/c1ccccc1)C(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C22H18O2/c23-21(17-9-7-15-19-11-3-1-4-12-19)22(24)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+
InChIKeyKRSCDLWSPVQHBY-FVRNMFRHSA-N
MW314.38 g/mol
LogP4.66
Rot. Bonds7

About (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione

(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione (PubChem CID 6152775) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione.

Molecular Properties

Compound Name(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
PubChem CID6152775
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione
SMILESO=C(/C=C/C=C/c1ccccc1)C(=O)/C=C/C=C/c1ccccc1
InChIInChI=1S/C22H18O2/c23-21(17-9-7-15-19-11-3-1-4-12-19)22(24)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+
InChIKeyKRSCDLWSPVQHBY-FVRNMFRHSA-N
XLogP4.66
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione with MolForge

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Related Compounds

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(5E,7E)-3-methylidene-8-phenylocta-1,5,7-trien-4-one
CID 142085099
ethene;5-phenylpenta-2,4-dienoic acid
CID 161205053
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
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4-phenylbuta-1,3-dienylbenzene
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7-phenylhepta-1,4,6-trien-3-one
CID 85345780
N-hydroxy-7-phenylhepta-2,4,6-trienamide
CID 71362968
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
[(1Z,3E,5Z,7E)-8-phenylocta-1,3,5,7-tetraenyl]benzene
CID 124922219
(1E,3E,8E,10E)-6-(1,3-dithiepan-2-ylidene)-1,11-diphenylundeca-1,3,8,10-tetraene-5,7-dione
CID 6268148
hexa-1,3,5-trienylbenzene;5-phenylpenta-2,4-dienoic acid
CID 87104089

Frequently Asked Questions

What is the IUPAC name of (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione?
The IUPAC name of (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione (CID 6152775) is (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione.
What is the SMILES notation for (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione?
The canonical SMILES for (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione is O=C(/C=C/C=C/c1ccccc1)C(=O)/C=C/C=C/c1ccccc1.
What is the InChIKey of (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione?
The InChIKey is KRSCDLWSPVQHBY-FVRNMFRHSA-N. The full InChI is InChI=1S/C22H18O2/c23-21(17-9-7-15-19-11-3-1-4-12-19)22(24)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7+,16-8+,17-9+,18-10+.
What are the key properties of (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione?
(1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione has a molecular weight of 314.38 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,7E,9E)-1,10-diphenyldeca-1,3,7,9-tetraene-5,6-dione is sourced from PubChem (CID 6152775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).