N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide

C30H24N2O — CID 145007215

IUPACN'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2oc3ccc(C)cc3c12
InChIInChI=1S/C30H24N2O/c1-20-17-18-27-26(19-20)29-25(15-10-16-28(29)33-27)22(3)32-30(24-13-8-5-9-14-24)31-21(2)23-11-6-4-7-12-23/h4-19H,3H2,1-2H3/b31-21+,32-30-
InChIKeyIIWFSDAYYNOKBN-BGGBNECNSA-N
MW428.54 g/mol
LogP7.82
Rot. Bonds4

About N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide

N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide (PubChem CID 145007215) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
PubChem CID145007215
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC NameN'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2oc3ccc(C)cc3c12
InChIInChI=1S/C30H24N2O/c1-20-17-18-27-26(19-20)29-25(15-10-16-28(29)33-27)22(3)32-30(24-13-8-5-9-14-24)31-21(2)23-11-6-4-7-12-23/h4-19H,3H2,1-2H3/b31-21+,32-30-
InChIKeyIIWFSDAYYNOKBN-BGGBNECNSA-N
XLogP7.82
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N'-[1-[7-[N-[(1Z)-3-dibenzofuran-2-yl-2-methyl-1-(2-methylphenyl)buta-1,3-dienyl]-C-ethylcarbonimidoyl]dibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 163645200
N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene
CID 145007171
N'-[1-(7-carbazol-9-yldibenzofuran-1-yl)ethenyl]-N-(1-naphthalen-2-ylethylidene)naphthalene-2-carboximidamide
CID 170283513
N'-[1-[8-[4-methyl-3-(2-methylphenyl)phenyl]-7,8-dihydrodibenzofuran-1-yl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 144955838
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
1-dibenzofuran-1-yl-N-[1-[3-methyl-2-(2-methylphenyl)phenyl]ethenyl]ethanimine
CID 145016899
N-[cyclohexa-1,5-dien-1-yl-(8-methyldibenzofuran-1-yl)methylidene]-4-phenylbenzenecarboximidamide
CID 170143185
8-(4-anilino-3-methylphenyl)-N-(1-phenylethylidene)dibenzofuran-1-carboximidamide
CID 146263615
9-(5,5-dioxodibenzothiophen-2-yl)-N'-(1-phenylethenyl)-N-[1-(4-phenylphenyl)ethylidene]dibenzofuran-1-carboximidamide
CID 169131863
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034

Frequently Asked Questions

What is the IUPAC name of N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The IUPAC name of N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide (CID 145007215) is N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide.
What is the SMILES notation for N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The canonical SMILES for N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide is C=C(/N=C(\N=C(/C)c1ccccc1)c1ccccc1)c1cccc2oc3ccc(C)cc3c12.
What is the InChIKey of N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
The InChIKey is IIWFSDAYYNOKBN-BGGBNECNSA-N. The full InChI is InChI=1S/C30H24N2O/c1-20-17-18-27-26(19-20)29-25(15-10-16-28(29)33-27)22(3)32-30(24-13-8-5-9-14-24)31-21(2)23-11-6-4-7-12-23/h4-19H,3H2,1-2H3/b31-21+,32-30-.
What are the key properties of N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide?
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide has a molecular weight of 428.54 g/mol, XLogP of 7.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide is sourced from PubChem (CID 145007215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).