1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine

C22H19NO — CID 167072413

IUPAC1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine
SMILESC=C/C=C(\C=C)C(=C)/N=C(\C)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C22H19NO/c1-5-9-17(6-2)15(3)23-16(4)18-12-13-20-19-10-7-8-11-21(19)24-22(20)14-18/h5-14H,1-3H2,4H3/b17-9+,23-16+
InChIKeyXDDZWHRPAKZWCD-JZEVRDPQSA-N
MW313.40 g/mol
LogP6.21
Rot. Bonds5

About 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine

1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine (PubChem CID 167072413) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine.

Molecular Properties

Compound Name1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine
PubChem CID167072413
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine
SMILESC=C/C=C(\C=C)C(=C)/N=C(\C)c1ccc2c(c1)oc1ccccc12
InChIInChI=1S/C22H19NO/c1-5-9-17(6-2)15(3)23-16(4)18-12-13-20-19-10-7-8-11-21(19)24-22(20)14-18/h5-14H,1-3H2,4H3/b17-9+,23-16+
InChIKeyXDDZWHRPAKZWCD-JZEVRDPQSA-N
XLogP6.21
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 56.21
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'}

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Related Compounds

(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
CID 170789515
1-dibenzofuran-3-yl-N-[(4Z,6Z)-octa-1,4,6-trien-2-yl]ethanimine
CID 167072457
2-prop-1-en-2-yldibenzofuran
CID 142504770
dibenzofuran-3-carboxylate
CID 51860493
N-(diaminomethylidene)dibenzofuran-3-carboxamide
CID 72734862
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-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
N,N-bis(4-dibenzofuran-3-ylphenyl)-4-[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]phenyl]aniline
CID 167257270
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
N-[(Z)-but-2-en-2-yl]-1-dibenzofuran-2-ylpropan-1-imine
CID 170239405
2-[(1E)-2-methyl-1-(6-methylidenecyclohexa-2,4-dien-1-ylidene)prop-2-enyl]dibenzofuran
CID 166909964
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine?
The IUPAC name of 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine (CID 167072413) is 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine.
What is the SMILES notation for 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine?
The canonical SMILES for 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-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-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine?
The InChIKey is XDDZWHRPAKZWCD-JZEVRDPQSA-N. The full InChI is InChI=1S/C22H19NO/c1-5-9-17(6-2)15(3)23-16(4)18-12-13-20-19-10-7-8-11-21(19)24-22(20)14-18/h5-14H,1-3H2,4H3/b17-9+,23-16+.
What are the key properties of 1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine?
1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine has a molecular weight of 313.40 g/mol, XLogP of 6.21, 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-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine is sourced from PubChem (CID 167072413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).