1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine

C22H21NO — CID 167072457

IUPAC1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine
SMILESC=C(C/C=C\C=C/C)/N=C(\C)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C22H21NO/c1-4-5-6-7-10-16(2)23-17(3)18-13-14-20-19-11-8-9-12-21(19)24-22(20)15-18/h4-9,11-15H,2,10H2,1,3H3/b5-4-,7-6-,23-17+
InChIKeyVJCCMBOXMKKCIZ-WKKXNJCGSA-N
MW315.42 g/mol
LogP6.43
Rot. Bonds5

About 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine

1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine (PubChem CID 167072457) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine
PubChem CID167072457
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine
SMILESC=C(C/C=C\C=C/C)/N=C(\C)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C22H21NO/c1-4-5-6-7-10-16(2)23-17(3)18-13-14-20-19-11-8-9-12-21(19)24-22(20)15-18/h4-9,11-15H,2,10H2,1,3H3/b5-4-,7-6-,23-17+
InChIKeyVJCCMBOXMKKCIZ-WKKXNJCGSA-N
XLogP6.43
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine with MolForge

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Related Compounds

1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine
CID 167072413
(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
CID 170789515
2-prop-1-en-2-yldibenzofuran
CID 142504770
N-[(1Z)-3-dibenzofuran-3-yl-1-[3-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]buta-1,3-dienyl]-1-phenylethanimine
CID 163822470
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
CID 170239405
dibenzofuran-3-carboxylate
CID 51860493
N-(diaminomethylidene)dibenzofuran-3-carboxamide
CID 72734862
2-dibenzofuran-2-ylbut-2-en-1-ol;2-dibenzofuran-2-ylprop-2-en-1-ol
CID 163980863
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide
CID 170283513
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
dibenzofuran;ethanol
CID 174821059

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine?
The IUPAC name of 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine (CID 167072457) is 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine.
What is the SMILES notation for 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine?
The canonical SMILES for 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine is C=C(C/C=C\C=C/C)/N=C(\C)c1ccc2c(c1)oc1ccccc12.
What is the InChIKey of 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine?
The InChIKey is VJCCMBOXMKKCIZ-WKKXNJCGSA-N. The full InChI is InChI=1S/C22H21NO/c1-4-5-6-7-10-16(2)23-17(3)18-13-14-20-19-11-8-9-12-21(19)24-22(20)15-18/h4-9,11-15H,2,10H2,1,3H3/b5-4-,7-6-,23-17+.
What are the key properties of 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine?
1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine has a molecular weight of 315.42 g/mol, XLogP of 6.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine is sourced from PubChem (CID 167072457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).