(E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine

C43H39NO — CID 167072450

IUPAC(E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine
SMILESC=C/C=C\C=C\c1cc(/C(C)=C/C(=N/C(=C)C2C=CC=CC2)c2ccc3c(c2)oc2ccccc23)cc(C2C=CC=CC2)c1C
InChIInChI=1S/C43H39NO/c1-5-6-7-10-21-35-27-37(28-40(31(35)3)34-19-13-9-14-20-34)30(2)26-41(44-32(4)33-17-11-8-12-18-33)36-24-25-39-38-22-15-16-23-42(38)45-43(39)29-36/h5-17,19,21-29,33-34H,1,4,18,20H2,2-3H3/b7-6-,21-10+,30-26+,44-41-
InChIKeyVJRIFICHZSOSGK-QNAQFMKQSA-N
MW585.79 g/mol
LogP11.79
Rot. Bonds9

About (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine

(E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine (PubChem CID 167072450) has the molecular formula C43H39NO and a molecular weight of 585.79 g/mol. Its IUPAC name is (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine
PubChem CID167072450
Molecular FormulaC43H39NO
Molecular Weight585.79 g/mol
Exact Mass585.30
IUPAC Name(E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine
SMILESC=C/C=C\C=C\c1cc(/C(C)=C/C(=N/C(=C)C2C=CC=CC2)c2ccc3c(c2)oc2ccccc23)cc(C2C=CC=CC2)c1C
InChIInChI=1S/C43H39NO/c1-5-6-7-10-21-35-27-37(28-40(31(35)3)34-19-13-9-14-20-34)30(2)26-41(44-32(4)33-17-11-8-12-18-33)36-24-25-39-38-22-15-16-23-42(38)45-43(39)29-36/h5-17,19,21-29,33-34H,1,4,18,20H2,2-3H3/b7-6-,21-10+,30-26+,44-41-
InChIKeyVJRIFICHZSOSGK-QNAQFMKQSA-N
XLogP11.79
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.79
LogP ≤ 511.79
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 (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine with MolForge

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Launch Full Analysis

Related Compounds

1-dibenzofuran-3-yl-N-[(3E)-3-ethenylhexa-1,3,5-trien-2-yl]ethanimine
CID 167072413
6-cyclohexa-2,4-dien-1-yl-3-phenyldibenzofuran
CID 175970496
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
(NE)-N-(1-dibenzofuran-3-ylethylidene)thiohydroxylamine
CID 170789515
(E)-1-dibenzofuran-2-yl-3-(4-methylphenyl)-N-[1-(3-phenylphenyl)ethenyl]but-2-en-1-imine;2,4-dimethyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzothiophene;ethane;2-methoxy-2,3-dimethylbutane;2-methoxy-2-methylpropane;prop-1-ene
CID 144969357
(2Z)-2-(4-cyclohexa-2,4-dien-1-yl-3-methylidene-2-pyridinylidene)-4-[(1E,3Z)-hexa-1,3,5-trienyl]-3-methylidenepyridine
CID 170099647
9-[2-cyclohexa-2,4-dien-1-yl-4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]-6-phenylphenyl]-1,3,6,8-tetraphenylcarbazole
CID 165020345
9-[(1Z)-buta-1,3-dienyl]-10-methyl-2-prop-1-en-2-ylphenanthrene
CID 143761267
3-carbazol-9-yl-9-[2-cyclohexa-2,4-dien-1-yl-4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-6-phenylphenyl]carbazole
CID 167403558
2-(1-cyclohexa-2,4-dien-1-yldibenzofuran-3-yl)-4-phenanthren-2-yl-6-(6-phenylnaphthalen-2-yl)-1,3,5-triazine
CID 174259861
dibenzofuran-3-carboxylate
CID 51860493

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine?
The IUPAC name of (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine (CID 167072450) is (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine?
The canonical SMILES for (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine is C=C/C=C\C=C\c1cc(/C(C)=C/C(=N/C(=C)C2C=CC=CC2)c2ccc3c(c2)oc2ccccc23)cc(C2C=CC=CC2)c1C.
What is the InChIKey of (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine?
The InChIKey is VJRIFICHZSOSGK-QNAQFMKQSA-N. The full InChI is InChI=1S/C43H39NO/c1-5-6-7-10-21-35-27-37(28-40(31(35)3)34-19-13-9-14-20-34)30(2)26-41(44-32(4)33-17-11-8-12-18-33)36-24-25-39-38-22-15-16-23-42(38)45-43(39)29-36/h5-17,19,21-29,33-34H,1,4,18,20H2,2-3H3/b7-6-,21-10+,30-26+,44-41-.
What are the key properties of (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine?
(E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine has a molecular weight of 585.79 g/mol, XLogP of 11.79, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-cyclohexa-2,4-dien-1-ylethenyl)-3-[3-cyclohexa-2,4-dien-1-yl-5-[(1E,3Z)-hexa-1,3,5-trienyl]-4-methylphenyl]-1-dibenzofuran-3-ylbut-2-en-1-imine is sourced from PubChem (CID 167072450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).