(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine

C25H21NS — CID 145017001

IUPAC(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C(/C=C(\C)c1cccc2sc3ccccc3c12)c1ccccc1
InChIInChI=1S/C25H21NS/c1-17(2)26-22(19-10-5-4-6-11-19)16-18(3)20-13-9-15-24-25(20)21-12-7-8-14-23(21)27-24/h4-16H,1H2,2-3H3/b18-16+,26-22-
InChIKeyXZPBLVXBFHWUJH-VKZUPEABSA-N
MW367.52 g/mol
LogP7.48
Rot. Bonds4

About (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine

(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine (PubChem CID 145017001) has the molecular formula C25H21NS and a molecular weight of 367.52 g/mol. Its IUPAC name is (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine
PubChem CID145017001
Molecular FormulaC25H21NS
Molecular Weight367.52 g/mol
Exact Mass367.14
IUPAC Name(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine
SMILESC=C(C)/N=C(/C=C(\C)c1cccc2sc3ccccc3c12)c1ccccc1
InChIInChI=1S/C25H21NS/c1-17(2)26-22(19-10-5-4-6-11-19)16-18(3)20-13-9-15-24-25(20)21-12-7-8-14-23(21)27-24/h4-16H,1H2,2-3H3/b18-16+,26-22-
InChIKeyXZPBLVXBFHWUJH-VKZUPEABSA-N
XLogP7.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.52
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-dibenzothiophen-1-yl-N-[1-(3-methylcyclohexa-1,5-dien-1-yl)ethenyl]-1-(3-phenylphenyl)but-2-en-1-imine
CID 145017085
N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide
CID 163620186
N'-benzyldibenzothiophene-1-carboximidamide
CID 145448040
N-[(2E)-4-dibenzothiophen-4-yl-1-(9-phenyldibenzothiophen-3-yl)penta-2,4-dienyl]-1-phenylethanimine
CID 170366048
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
1-methyldibenzothiophene
CID 23839
(E)-N-[1-[4-(4-methylphenyl)phenyl]ethenyl]-3-(4-naphthalen-1-ylphenyl)-1-phenylbut-2-en-1-imine
CID 166864208
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
1-phenyldibenzothiophene;hydrobromide
CID 174679709
4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716
dibenzothiophene-1-diazonium
CID 71331695
(E)-3-phenyl-N-(1-phenylethenyl)-1-[6-(3-phenylphenyl)dibenzofuran-1-yl]but-2-en-1-imine
CID 139418385

Frequently Asked Questions

What is the IUPAC name of (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The IUPAC name of (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine (CID 145017001) is (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The canonical SMILES for (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine is C=C(C)/N=C(/C=C(\C)c1cccc2sc3ccccc3c12)c1ccccc1.
What is the InChIKey of (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine?
The InChIKey is XZPBLVXBFHWUJH-VKZUPEABSA-N. The full InChI is InChI=1S/C25H21NS/c1-17(2)26-22(19-10-5-4-6-11-19)16-18(3)20-13-9-15-24-25(20)21-12-7-8-14-23(21)27-24/h4-16H,1H2,2-3H3/b18-16+,26-22-.
What are the key properties of (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine?
(E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine has a molecular weight of 367.52 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-dibenzothiophen-1-yl-1-phenyl-N-prop-1-en-2-ylbut-2-en-1-imine is sourced from PubChem (CID 145017001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).