N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide

C29H22Br2N2S — CID 147325589

IUPACN'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide
SMILESC/C(=N\C(=N/C(C)c1cccc2c1sc1ccccc12)c1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C29H22Br2N2S/c1-18(21-15-22(30)17-23(31)16-21)32-29(20-9-4-3-5-10-20)33-19(2)24-12-8-13-26-25-11-6-7-14-27(25)34-28(24)26/h3-17,19H,1-2H3/b32-18+,33-29-
InChIKeyDAQQNXISWLVIOY-GGLGZYQXSA-N
MW590.38 g/mol
LogP9.60
Rot. Bonds4

About N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide

N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide (PubChem CID 147325589) has the molecular formula C29H22Br2N2S and a molecular weight of 590.38 g/mol. Its IUPAC name is N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide
PubChem CID147325589
Molecular FormulaC29H22Br2N2S
Molecular Weight590.38 g/mol
Exact Mass587.99
IUPAC NameN'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide
SMILESC/C(=N\C(=N/C(C)c1cccc2c1sc1ccccc12)c1ccccc1)c1cc(Br)cc(Br)c1
InChIInChI=1S/C29H22Br2N2S/c1-18(21-15-22(30)17-23(31)16-21)32-29(20-9-4-3-5-10-20)33-19(2)24-12-8-13-26-25-11-6-7-14-27(25)34-28(24)26/h3-17,19H,1-2H3/b32-18+,33-29-
InChIKeyDAQQNXISWLVIOY-GGLGZYQXSA-N
XLogP9.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.38
LogP ≤ 59.60
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-[amino(phenyl)methylidene]-N'-(1-dibenzothiophen-4-ylethyl)-5a,9a-dihydrodibenzothiophene-4-carboximidamide
CID 163651163
4-butan-2-yldibenzothiophene
CID 59503099
N'-[(1R)-2-methyl-1-phenylbutyl]-N-[1-(3-triphenylen-2-ylphenyl)ethylidene]benzenecarboximidamide
CID 118964298
4-(3-bromo-5-phenylphenyl)dibenzothiophene
CID 142380549
N-(1-dibenzothiophen-4-ylethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 21395154
1-(3-bromophenyl)-N-(1-phenylethenyl)ethanimine
CID 145243332
5-bromo-3-N,3-N-bis(4-dibenzothiophen-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,3-diamine
CID 134471589
1-(3-bromophenyl)-N-[2,6-di(propan-2-yl)phenyl]-1-phenylmethanimine
CID 58238566
N-[1-(4-naphtho[1,2-b][1]benzothiol-7-ylnaphthalen-1-yl)ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 163557727
N'-(dibenzothiophen-4-ylmethylamino)benzenecarboximidamide
CID 90070940
4-[3-bromo-5-[(Z)-3-naphthalen-1-yl-2-phenylprop-1-enyl]phenyl]dibenzothiophene
CID 146367347
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989

Frequently Asked Questions

What is the IUPAC name of N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide?
The IUPAC name of N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide (CID 147325589) is N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide.
What is the SMILES notation for N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide?
The canonical SMILES for N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide is C/C(=N\C(=N/C(C)c1cccc2c1sc1ccccc12)c1ccccc1)c1cc(Br)cc(Br)c1.
What is the InChIKey of N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide?
The InChIKey is DAQQNXISWLVIOY-GGLGZYQXSA-N. The full InChI is InChI=1S/C29H22Br2N2S/c1-18(21-15-22(30)17-23(31)16-21)32-29(20-9-4-3-5-10-20)33-19(2)24-12-8-13-26-25-11-6-7-14-27(25)34-28(24)26/h3-17,19H,1-2H3/b32-18+,33-29-.
What are the key properties of N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide?
N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide has a molecular weight of 590.38 g/mol, XLogP of 9.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-dibenzothiophen-4-ylethyl)-N-[1-(3,5-dibromophenyl)ethylidene]benzenecarboximidamide is sourced from PubChem (CID 147325589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).