(8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one

C26H33NO — CID 169105953

IUPAC(8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one
SMILESC=C(/C(=C(/C)C(NC)C(C)CC(=O)CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NO/c1-6-13-24(28)18-19(2)26(27-5)21(4)25(23-16-11-8-12-17-23)20(3)22-14-9-7-10-15-22/h7-12,14-17,19,26-27H,3,6,13,18H2,1-2,4-5H3/b25-21+
InChIKeyUTOMRGDNHDCVNN-NJNXFGOHSA-N
MW375.56 g/mol
LogP6.16
Rot. Bonds10

About (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one

(8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one (PubChem CID 169105953) has the molecular formula C26H33NO and a molecular weight of 375.56 g/mol. Its IUPAC name is (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one.

Molecular Properties

Compound Name(8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one
PubChem CID169105953
Molecular FormulaC26H33NO
Molecular Weight375.56 g/mol
Exact Mass375.26
IUPAC Name(8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one
SMILESC=C(/C(=C(/C)C(NC)C(C)CC(=O)CCC)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H33NO/c1-6-13-24(28)18-19(2)26(27-5)21(4)25(23-16-11-8-12-17-23)20(3)22-14-9-7-10-15-22/h7-12,14-17,19,26-27H,3,6,13,18H2,1-2,4-5H3/b25-21+
InChIKeyUTOMRGDNHDCVNN-NJNXFGOHSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one with MolForge

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Related Compounds

(8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one;ethane;molecular hydrogen
CID 169105952
(9Z)-5,9-dimethyl-8-(methylamino)-10,11-bis(4-methylphenyl)dodeca-9,11-dien-4-one
CID 169105878
2-oxopentyl(triphenyl)phosphanium
CID 20542903
pent-1-en-2-ylbenzene
CID 521761
1-phenylbutan-1-one
CID 10315
pentan-2-one;1-phenylethanone
CID 142883835
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
hex-1-en-2-ylbenzene;propan-2-one
CID 142095367
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-(methylamino)pentan-1-one
CID 76974159
(3Z)-3-[methylamino(phenyl)methylidene]hexan-2-one
CID 144700253
1-phenylbutan-1-one;hydrobromide
CID 139638507
(6R)-6-[bis(benzenesulfonyl)methyl]octan-4-one
CID 102416293

Frequently Asked Questions

What is the IUPAC name of (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one?
The IUPAC name of (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one (CID 169105953) is (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one.
What is the SMILES notation for (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one?
The canonical SMILES for (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one is C=C(/C(=C(/C)C(NC)C(C)CC(=O)CCC)c1ccccc1)c1ccccc1.
What is the InChIKey of (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one?
The InChIKey is UTOMRGDNHDCVNN-NJNXFGOHSA-N. The full InChI is InChI=1S/C26H33NO/c1-6-13-24(28)18-19(2)26(27-5)21(4)25(23-16-11-8-12-17-23)20(3)22-14-9-7-10-15-22/h7-12,14-17,19,26-27H,3,6,13,18H2,1-2,4-5H3/b25-21+.
What are the key properties of (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one?
(8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one has a molecular weight of 375.56 g/mol, XLogP of 6.16, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-6,8-dimethyl-7-(methylamino)-9,10-diphenylundeca-8,10-dien-4-one is sourced from PubChem (CID 169105953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).