(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one

C21H18O — CID 51568438

IUPAC(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
SMILESO=C(/C=C\C=C/c1ccccc1)/C=C\C=C\c1ccccc1
InChIInChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7-,16-8+,17-9-,18-10-
InChIKeyRLJALOQFYHCJKG-HRPMROCJSA-N
MW286.37 g/mol
LogP5.09
Rot. Bonds6

About (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one

(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one (PubChem CID 51568438) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one.

Molecular Properties

Compound Name(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
PubChem CID51568438
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one
SMILESO=C(/C=C\C=C/c1ccccc1)/C=C\C=C\c1ccccc1
InChIInChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)18-10-8-16-20-13-5-2-6-14-20/h1-18H/b15-7-,16-8+,17-9-,18-10-
InChIKeyRLJALOQFYHCJKG-HRPMROCJSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one?
The IUPAC name of (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one (CID 51568438) is (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one.
What is the SMILES notation for (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one?
The canonical SMILES for (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one is O=C(/C=C\C=C/c1ccccc1)/C=C\C=C\c1ccccc1.
What is the InChIKey of (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one?
The InChIKey is RLJALOQFYHCJKG-HRPMROCJSA-N. The full InChI is InChI=1S/C21H18O/c22-21(17-9-7-15-19-11-3-1-4-12-19)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 (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one?
(1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one has a molecular weight of 286.37 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z,6Z,8E)-1,9-diphenylnona-1,3,6,8-tetraen-5-one is sourced from PubChem (CID 51568438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).