N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide

C42H31N3O — CID 158024792

IUPACN-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide
SMILESC/C=C(/N=C(/N=C(\C)n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C42H31N3O/c1-3-37(29-15-6-4-7-16-29)44-42(30-17-8-5-9-18-30)43-28(2)45-38-23-12-10-19-33(38)36-27-31(25-26-39(36)45)32-21-14-22-35-34-20-11-13-24-40(34)46-41(32)35/h3-27H,1-2H3/b37-3+,43-28+,44-42+
InChIKeyFGLXZAUCNHKNJR-VIOLWDMCSA-N
MW593.73 g/mol
LogP11.14
Rot. Bonds4

About N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide

N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide (PubChem CID 158024792) has the molecular formula C42H31N3O and a molecular weight of 593.73 g/mol. Its IUPAC name is N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide.

Molecular Properties

Compound NameN-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide
PubChem CID158024792
Molecular FormulaC42H31N3O
Molecular Weight593.73 g/mol
Exact Mass593.25
IUPAC NameN-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide
SMILESC/C=C(/N=C(/N=C(\C)n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21)c1ccccc1)c1ccccc1
InChIInChI=1S/C42H31N3O/c1-3-37(29-15-6-4-7-16-29)44-42(30-17-8-5-9-18-30)43-28(2)45-38-23-12-10-19-33(38)36-27-31(25-26-39(36)45)32-21-14-22-35-34-20-11-13-24-40(34)46-41(32)35/h3-27H,1-2H3/b37-3+,43-28+,44-42+
InChIKeyFGLXZAUCNHKNJR-VIOLWDMCSA-N
XLogP11.14
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.73
LogP ≤ 511.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
N-[amino(phenyl)methylidene]-N'-[[2-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]methyl]-4-phenylbenzenecarboximidamide
CID 170131255
9-dibenzofuran-1-yl-3-dibenzofuran-4-ylcarbazole
CID 118504742
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
3-dibenzofuran-4-yl-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 122451711
3-dibenzofuran-2-yl-9-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]carbazole
CID 121449444
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide?
The IUPAC name of N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide (CID 158024792) is N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide.
What is the SMILES notation for N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide?
The canonical SMILES for N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide is C/C=C(/N=C(/N=C(\C)n1c2ccccc2c2cc(-c3cccc4c3oc3ccccc34)ccc21)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide?
The InChIKey is FGLXZAUCNHKNJR-VIOLWDMCSA-N. The full InChI is InChI=1S/C42H31N3O/c1-3-37(29-15-6-4-7-16-29)44-42(30-17-8-5-9-18-30)43-28(2)45-38-23-12-10-19-33(38)36-27-31(25-26-39(36)45)32-21-14-22-35-34-20-11-13-24-40(34)46-41(32)35/h3-27H,1-2H3/b37-3+,43-28+,44-42+.
What are the key properties of N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide?
N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide has a molecular weight of 593.73 g/mol, XLogP of 11.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-dibenzofuran-4-ylcarbazol-9-yl)ethylidene]-N'-[(E)-1-phenylprop-1-enyl]benzenecarboximidamide is sourced from PubChem (CID 158024792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).