N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide

C59H40N2S2 — CID 163620186

IUPACN'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(/C)c1cccc2sc3ccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)cc3c12)c1ccccc1)c1cccc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C59H40N2S2/c1-38(42-21-13-24-46(35-42)50-29-16-32-56-58(50)51-27-11-12-30-53(51)62-56)60-59(41-19-7-4-8-20-41)61-39(2)47-28-15-31-55-57(47)52-37-44(33-34-54(52)63-55)43-22-14-23-45(36-43)49-26-10-9-25-48(49)40-17-5-3-6-18-40/h3-37H,1H2,2H3/b60-59+,61-39-
InChIKeyHNLHMFTXBFZRKM-XSNJUYIDSA-N
MW841.12 g/mol
LogP17.02
Rot. Bonds8

About N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide

N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide (PubChem CID 163620186) has the molecular formula C59H40N2S2 and a molecular weight of 841.12 g/mol. Its IUPAC name is N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide
PubChem CID163620186
Molecular FormulaC59H40N2S2
Molecular Weight841.12 g/mol
Exact Mass840.26
IUPAC NameN'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide
SMILESC=C(/N=C(/N=C(/C)c1cccc2sc3ccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)cc3c12)c1ccccc1)c1cccc(-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C59H40N2S2/c1-38(42-21-13-24-46(35-42)50-29-16-32-56-58(50)51-27-11-12-30-53(51)62-56)60-59(41-19-7-4-8-20-41)61-39(2)47-28-15-31-55-57(47)52-37-44(33-34-54(52)63-55)43-22-14-23-45(36-43)49-26-10-9-25-48(49)40-17-5-3-6-18-40/h3-37H,1H2,2H3/b60-59+,61-39-
InChIKeyHNLHMFTXBFZRKM-XSNJUYIDSA-N
XLogP17.02
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500841.12
LogP ≤ 517.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide 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

4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene
CID 145007171
N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
N-(1-pyridin-4-ylethylidene)-N'-[1-[2-(3-triphenylen-2-ylphenyl)phenyl]ethenyl]pyridine-4-carboximidamide
CID 166022897
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
N-[1-(4-naphtho[1,2-b][1]benzothiol-7-ylnaphthalen-1-yl)ethylidene]-N'-(1-phenylethenyl)benzenecarboximidamide
CID 163557727
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
1-(4-methylphenyl)-8-triphenylen-2-yldibenzothiophene
CID 145447926
2-dibenzothiophen-2-yl-4-phenyl-6-[4-[8-(3-phenylphenyl)dibenzothiophen-1-yl]phenyl]-1,3,5-triazine
CID 140946842
N'-(1-phenylethenyl)-N-[1-[2-phenyl-3-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]ethylidene]benzenecarboximidamide
CID 174328011

Frequently Asked Questions

What is the IUPAC name of N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide?
The IUPAC name of N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide (CID 163620186) is N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide.
What is the SMILES notation for N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide?
The canonical SMILES for N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide is C=C(/N=C(/N=C(/C)c1cccc2sc3ccc(-c4cccc(-c5ccccc5-c5ccccc5)c4)cc3c12)c1ccccc1)c1cccc(-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide?
The InChIKey is HNLHMFTXBFZRKM-XSNJUYIDSA-N. The full InChI is InChI=1S/C59H40N2S2/c1-38(42-21-13-24-46(35-42)50-29-16-32-56-58(50)51-27-11-12-30-53(51)62-56)60-59(41-19-7-4-8-20-41)61-39(2)47-28-15-31-55-57(47)52-37-44(33-34-54(52)63-55)43-22-14-23-45(36-43)49-26-10-9-25-48(49)40-17-5-3-6-18-40/h3-37H,1H2,2H3/b60-59+,61-39-.
What are the key properties of N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide?
N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide has a molecular weight of 841.12 g/mol, XLogP of 17.02, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide is sourced from PubChem (CID 163620186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).