8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide

C46H34N4O2S — CID 167129353

IUPAC8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)oc1ccccc12)c1cccc2oc3cc(SCc4ccc(-c5ccccc5)cc4)c(N)cc3c12
InChIInChI=1S/C46H34N4O2S/c47-38-25-37-42(26-43(38)53-28-30-18-20-32(21-19-30)31-12-5-2-6-13-31)52-40-17-9-15-36(44(37)40)45(48)50-46(49-27-29-10-3-1-4-11-29)33-22-23-35-34-14-7-8-16-39(34)51-41(35)24-33/h1-26H,27-28,47H2,(H2,48,49,50)
InChIKeyOMPDSHTWOXXQJX-UHFFFAOYSA-N
MW706.87 g/mol
LogP11.38
Rot. Bonds8

About 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide

8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide (PubChem CID 167129353) has the molecular formula C46H34N4O2S and a molecular weight of 706.87 g/mol. Its IUPAC name is 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide.

Molecular Properties

Compound Name8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide
PubChem CID167129353
Molecular FormulaC46H34N4O2S
Molecular Weight706.87 g/mol
Exact Mass706.24
IUPAC Name8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)oc1ccccc12)c1cccc2oc3cc(SCc4ccc(-c5ccccc5)cc4)c(N)cc3c12
InChIInChI=1S/C46H34N4O2S/c47-38-25-37-42(26-43(38)53-28-30-18-20-32(21-19-30)31-12-5-2-6-13-31)52-40-17-9-15-36(44(37)40)45(48)50-46(49-27-29-10-3-1-4-11-29)33-22-23-35-34-14-7-8-16-39(34)51-41(35)24-33/h1-26H,27-28,47H2,(H2,48,49,50)
InChIKeyOMPDSHTWOXXQJX-UHFFFAOYSA-N
XLogP11.38
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 511.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[amino-(4-phenylphenyl)methylidene]-N'-(dibenzofuran-3-ylmethyl)-4-methylbenzenecarboximidamide
CID 162363127
N'-[C-naphthalen-2-yl-N-[[8-(3-phenylphenyl)dibenzofuran-1-yl]methyl]carbonimidoyl]dibenzofuran-3-carboximidamide
CID 170246169
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
CID 170218964
N'-(N-benzyl-C-dibenzofuran-4-ylcarbonimidoyl)-4-phenyldibenzofuran-1-carboximidamide
CID 167008229
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N'-(N-benzyl-C-phenylcarbonimidoyl)-3-dibenzofuran-3-yl-N-methylidenedibenzofuran-1-carboximidamide
CID 170423493
8-(3-carbazol-9-yldibenzothiophen-1-yl)-N'-[C-(3-phenylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]dibenzofuran-1-carboximidamide
CID 156643243
N-[amino-(3-phenylphenyl)methylidene]-N'-(dibenzofuran-1-ylmethyl)-6-phenylnaphthalene-2-carboximidamide
CID 171587185
CID 174062450
CID 174062450
N-[amino(phenyl)methylidene]-N'-benzyl-4-(3-dibenzofuran-3-ylcarbazol-9-yl)-3-phenylbenzenecarboximidamide
CID 170137005
2-phenyl-4-(4-phenylphenyl)-N'-[C-phenyl-N-[(4-phenylphenyl)methyl]carbonimidoyl]-[1]benzofuro[3,2-d]pyrimidine-7-carboximidamide
CID 170946791

Frequently Asked Questions

What is the IUPAC name of 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide?
The IUPAC name of 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide (CID 167129353) is 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide.
What is the SMILES notation for 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide?
The canonical SMILES for 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide is N/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)oc1ccccc12)c1cccc2oc3cc(SCc4ccc(-c5ccccc5)cc4)c(N)cc3c12.
What is the InChIKey of 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide?
The InChIKey is OMPDSHTWOXXQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4O2S/c47-38-25-37-42(26-43(38)53-28-30-18-20-32(21-19-30)31-12-5-2-6-13-31)52-40-17-9-15-36(44(37)40)45(48)50-46(49-27-29-10-3-1-4-11-29)33-22-23-35-34-14-7-8-16-39(34)51-41(35)24-33/h1-26H,27-28,47H2,(H2,48,49,50).
What are the key properties of 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide?
8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide has a molecular weight of 706.87 g/mol, XLogP of 11.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-N'-(N-benzyl-C-dibenzofuran-3-ylcarbonimidoyl)-7-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-1-carboximidamide is sourced from PubChem (CID 167129353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).