(2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine

C42H32N2O2 — CID 144884145

IUPAC(2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C=C(/C)c1cc(-c2ccccn2)cc(-c2cccc3c2OC/C(c2cccc4c2oc2ccccc24)=C\C=C/C3=C)c1
InChIInChI=1S/C42H32N2O2/c1-28(12-5-7-22-43)31-24-32(26-33(25-31)39-20-6-8-23-44-39)36-18-10-16-34-29(2)13-9-14-30(27-45-41(34)36)35-17-11-19-38-37-15-3-4-21-40(37)46-42(35)38/h3-26,43H,2,27H2,1H3/b7-5-,13-9-,28-12+,30-14+,43-22+
InChIKeyYFOUFBXUUDJTFN-DXDNWMNMSA-N
MW596.73 g/mol
LogP10.97
Rot. Bonds6

About (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine

(2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine (PubChem CID 144884145) has the molecular formula C42H32N2O2 and a molecular weight of 596.73 g/mol. Its IUPAC name is (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine
PubChem CID144884145
Molecular FormulaC42H32N2O2
Molecular Weight596.73 g/mol
Exact Mass596.25
IUPAC Name(2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C\C=C(/C)c1cc(-c2ccccn2)cc(-c2cccc3c2OC/C(c2cccc4c2oc2ccccc24)=C\C=C/C3=C)c1
InChIInChI=1S/C42H32N2O2/c1-28(12-5-7-22-43)31-24-32(26-33(25-31)39-20-6-8-23-44-39)36-18-10-16-34-29(2)13-9-14-30(27-45-41(34)36)35-17-11-19-38-37-15-3-4-21-40(37)46-42(35)38/h3-26,43H,2,27H2,1H3/b7-5-,13-9-,28-12+,30-14+,43-22+
InChIKeyYFOUFBXUUDJTFN-DXDNWMNMSA-N
XLogP10.97
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.73
LogP ≤ 510.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]pyridine
CID 88984684
4-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-2-(3-pyridin-2-ylphenyl)indeno[1,2-d]pyrimidine
CID 118100265
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
2-dibenzofuran-4-ylpyridine
CID 59500175
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
2-methyl-8-(3-pyridin-2-ylphenyl)-[1]benzofuro[2,3-b]pyridine
CID 140760585
1-dibenzofuran-4-yl-6-prop-1-en-2-ylisoquinoline
CID 154960405
2-[4-[3-[9-(3-pyridin-2-ylphenyl)dibenzofuran-2-yl]phenyl]phenyl]pyridine
CID 140814590
7-dibenzofuran-4-yl-5,5-dimethyl-2-phenyl-4-pyridin-2-ylindeno[1,2-d]pyrimidine
CID 118476820
1-(6-dibenzofuran-4-yl-2-pyridinyl)-8-pyridin-2-yl-9H-carbazole
CID 140902322

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine (CID 144884145) is (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine is [H]/N=C/C=C\C=C(/C)c1cc(-c2ccccn2)cc(-c2cccc3c2OC/C(c2cccc4c2oc2ccccc24)=C\C=C/C3=C)c1.
What is the InChIKey of (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine?
The InChIKey is YFOUFBXUUDJTFN-DXDNWMNMSA-N. The full InChI is InChI=1S/C42H32N2O2/c1-28(12-5-7-22-43)31-24-32(26-33(25-31)39-20-6-8-23-44-39)36-18-10-16-34-29(2)13-9-14-30(27-45-41(34)36)35-17-11-19-38-37-15-3-4-21-40(37)46-42(35)38/h3-26,43H,2,27H2,1H3/b7-5-,13-9-,28-12+,30-14+,43-22+.
What are the key properties of (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine?
(2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine has a molecular weight of 596.73 g/mol, XLogP of 10.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[3-[(3Z,5Z)-3-dibenzofuran-4-yl-7-methylidene-2H-1-benzoxonin-11-yl]-5-pyridin-2-ylphenyl]hexa-2,4-dien-1-imine is sourced from PubChem (CID 144884145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).