2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane

C30H30N2O — CID 153368904

IUPAC2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane
SMILESC=Cc1oc2cccc(C(=N/C)/N=C(\C)c3ccc(-c4ccccc4)cc3)c2c1C=C.CC
InChIInChI=1S/C28H24N2O.C2H6/c1-5-23-25(6-2)31-26-14-10-13-24(27(23)26)28(29-4)30-19(3)20-15-17-22(18-16-20)21-11-8-7-9-12-21;1-2/h5-18H,1-2H2,3-4H3;1-2H3/b29-28-,30-19+;
InChIKeyMPSDQAZBGVMBRG-HEQFEDHRSA-N
MW434.58 g/mol
LogP8.30
Rot. Bonds5

About 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane

2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane (PubChem CID 153368904) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane.

Molecular Properties

Compound Name2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane
PubChem CID153368904
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane
SMILESC=Cc1oc2cccc(C(=N/C)/N=C(\C)c3ccc(-c4ccccc4)cc3)c2c1C=C.CC
InChIInChI=1S/C28H24N2O.C2H6/c1-5-23-25(6-2)31-26-14-10-13-24(27(23)26)28(29-4)30-19(3)20-15-17-22(18-16-20)21-11-8-7-9-12-21;1-2/h5-18H,1-2H2,3-4H3;1-2H3/b29-28-,30-19+;
InChIKeyMPSDQAZBGVMBRG-HEQFEDHRSA-N
XLogP8.30
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 58.30
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

9-(5,5-dioxodibenzothiophen-2-yl)-N'-(1-phenylethenyl)-N-[1-(4-phenylphenyl)ethylidene]dibenzofuran-1-carboximidamide
CID 169131863
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034
N'-[1-(8-methyldibenzofuran-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 145007215
(E)-N-(aziridin-1-yl)-1-(4-phenylphenyl)ethanimine
CID 138969794
ethanol;N-[1-(4-phenylphenyl)ethylidene]hydroxylamine
CID 160781047
2-[(E)-1-(4-phenylphenyl)ethylideneamino]guanidine;hydrochloride
CID 54612215
N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide
CID 146384812
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 130336629
buta-1,3-diene;ethane;1-methyl-4-phenylbenzene
CID 143599647

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane?
The IUPAC name of 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane (CID 153368904) is 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane.
What is the SMILES notation for 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane?
The canonical SMILES for 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane is C=Cc1oc2cccc(C(=N/C)/N=C(\C)c3ccc(-c4ccccc4)cc3)c2c1C=C.CC.
What is the InChIKey of 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane?
The InChIKey is MPSDQAZBGVMBRG-HEQFEDHRSA-N. The full InChI is InChI=1S/C28H24N2O.C2H6/c1-5-23-25(6-2)31-26-14-10-13-24(27(23)26)28(29-4)30-19(3)20-15-17-22(18-16-20)21-11-8-7-9-12-21;1-2/h5-18H,1-2H2,3-4H3;1-2H3/b29-28-,30-19+;.
What are the key properties of 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane?
2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane has a molecular weight of 434.58 g/mol, XLogP of 8.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-N'-methyl-N-[1-(4-phenylphenyl)ethylidene]-1-benzofuran-4-carboximidamide;ethane is sourced from PubChem (CID 153368904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).