N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene

C27H25N3S — CID 145452295

IUPACN'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene
SMILESCc1ccc2c3c(sc2c1)=CCCC=3.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3.C13H12S/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h1-10H,(H3,15,16,17);4-8H,2-3H2,1H3
InChIKeyLFWYDISMYAWKRS-UHFFFAOYSA-N
MW423.59 g/mol
LogP4.98
Rot. Bonds2

About N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene

N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene (PubChem CID 145452295) has the molecular formula C27H25N3S and a molecular weight of 423.59 g/mol. Its IUPAC name is N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene.

Molecular Properties

Compound NameN'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene
PubChem CID145452295
Molecular FormulaC27H25N3S
Molecular Weight423.59 g/mol
Exact Mass423.18
IUPAC NameN'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene
SMILESCc1ccc2c3c(sc2c1)=CCCC=3.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13N3.C13H12S/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h1-10H,(H3,15,16,17);4-8H,2-3H2,1H3
InChIKeyLFWYDISMYAWKRS-UHFFFAOYSA-N
XLogP4.98
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.59
LogP ≤ 54.98
H-Bond Donors ≤ 52
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'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
N-[amino(phenyl)methylidene]-7,8-dihydrodibenzofuran-2-carboximidamide
CID 142481944
N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
CID 142469905
N-[amino-(4-phenylphenyl)methylidene]dibenzofuran-2-carboximidamide;2-methyl-5-phenyl-9H-fluorene
CID 142615355
N-[amino(phenyl)methylidene]-3-[3-(9,9-dimethylfluoren-2-yl)phenyl]benzenecarboximidamide;toluene
CID 145110773
N'-(benzenecarboximidoyl)-4-[9-[(E,1E)-1-(10-methylidenephenanthren-9-ylidene)but-2-en-2-yl]dibenzothiophen-1-yl]benzenecarboximidamide;toluene
CID 145447639
3-[4-[(N-(2-aminophenyl)anilino)methyl]phenyl]-N'-(benzenecarboximidoyl)-6,7-dihydronaphthalene-2-carboximidamide;ethane;toluene
CID 145303388
N-[amino(phenyl)methylidene]-3-(2-dibenzothiophen-4-ylcarbazol-9-yl)benzenecarboximidamide
CID 170131493
4-fluoro-N'-(4-fluorobenzenecarboximidoyl)benzenecarboximidamide
CID 130271294
(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide
CID 142915800
N'-(benzenecarboximidoyl)-2-carbazol-9-ylbenzenecarboximidamide
CID 142318949
4-[2-(aminomethyl)-5-chlorophenyl]-N'-(benzenecarboximidoyl)benzenecarboximidamide;benzenecarboximidamide;toluene
CID 145212337

Frequently Asked Questions

What is the IUPAC name of N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene?
The IUPAC name of N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene (CID 145452295) is N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene.
What is the SMILES notation for N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene?
The canonical SMILES for N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene is Cc1ccc2c3c(sc2c1)=CCCC=3.[H]/N=C(/N=C(\N)c1ccccc1)c1ccccc1.
What is the InChIKey of N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene?
The InChIKey is LFWYDISMYAWKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3.C13H12S/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12;1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h1-10H,(H3,15,16,17);4-8H,2-3H2,1H3.
What are the key properties of N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene?
N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene has a molecular weight of 423.59 g/mol, XLogP of 4.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenecarboximidoyl)benzenecarboximidamide;7-methyl-2,3-dihydrodibenzothiophene is sourced from PubChem (CID 145452295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).