N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide

C47H32N2OS — CID 163590140

IUPACN-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc2c(c1)oc1ccccc12)c1cccc2sc3ccc(-c4cccc(-c5ccccc5)c4)cc3c12)c1ccccc1
InChIInChI=1S/C47H32N2OS/c1-30(32-13-5-3-6-14-32)48-47(49-31(2)34-23-25-39-38-19-9-10-21-42(38)50-43(39)29-34)40-20-12-22-45-46(40)41-28-37(24-26-44(41)51-45)36-18-11-17-35(27-36)33-15-7-4-8-16-33/h3-29H,1H2,2H3/b48-47-,49-31+
InChIKeyGOVMKZCGKISRIJ-JFQVSRCZSA-N
MW672.85 g/mol
LogP13.21
Rot. Bonds6

About N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide

N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide (PubChem CID 163590140) has the molecular formula C47H32N2OS and a molecular weight of 672.85 g/mol. Its IUPAC name is N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide.

Molecular Properties

Compound NameN-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
PubChem CID163590140
Molecular FormulaC47H32N2OS
Molecular Weight672.85 g/mol
Exact Mass672.22
IUPAC NameN-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc2c(c1)oc1ccccc12)c1cccc2sc3ccc(-c4cccc(-c5ccccc5)c4)cc3c12)c1ccccc1
InChIInChI=1S/C47H32N2OS/c1-30(32-13-5-3-6-14-32)48-47(49-31(2)34-23-25-39-38-19-9-10-21-42(38)50-43(39)29-34)40-20-12-22-45-46(40)41-28-37(24-26-44(41)51-45)36-18-11-17-35(27-36)33-15-7-4-8-16-33/h3-29H,1H2,2H3/b48-47-,49-31+
InChIKeyGOVMKZCGKISRIJ-JFQVSRCZSA-N
XLogP13.21
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.85
LogP ≤ 513.21
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'}

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Related Compounds

N-[1-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]ethylidene]-N'-(1-phenylethenyl)dibenzothiophene-1-carboximidamide
CID 118507972
N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide
CID 163620186
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034
9-(5,5-dioxodibenzothiophen-2-yl)-N'-(1-phenylethenyl)-N-[1-(4-phenylphenyl)ethylidene]dibenzofuran-1-carboximidamide
CID 169131863
4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716
2-(8-dibenzofuran-3-yldibenzothiophen-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 169059388
N'-[1-(8-methyldibenzothiophen-1-yl)ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide;4-methyl-9H-fluorene;1-methyl-4-phenylbenzene
CID 145007171
N-methylidene-N'-[[8-[2-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]methyl]dibenzofuran-2-carboximidamide
CID 145447260
N'-(2-phenylethyl)-N-[[8-[7-(3-phenylphenyl)cyclohepta-1,3,6-trien-1-yl]dibenzothiophen-1-yl]methylidene]dibenzofuran-3-carboximidamide
CID 145447509
2-[3-[3-[3-[3-[3-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]dibenzofuran
CID 90265513
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
N-(4-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 129085217

Frequently Asked Questions

What is the IUPAC name of N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide?
The IUPAC name of N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide (CID 163590140) is N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide.
What is the SMILES notation for N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide?
The canonical SMILES for N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide is C=C(/N=C(\N=C(/C)c1ccc2c(c1)oc1ccccc12)c1cccc2sc3ccc(-c4cccc(-c5ccccc5)c4)cc3c12)c1ccccc1.
What is the InChIKey of N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide?
The InChIKey is GOVMKZCGKISRIJ-JFQVSRCZSA-N. The full InChI is InChI=1S/C47H32N2OS/c1-30(32-13-5-3-6-14-32)48-47(49-31(2)34-23-25-39-38-19-9-10-21-42(38)50-43(39)29-34)40-20-12-22-45-46(40)41-28-37(24-26-44(41)51-45)36-18-11-17-35(27-36)33-15-7-4-8-16-33/h3-29H,1H2,2H3/b48-47-,49-31+.
What are the key properties of N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide?
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide has a molecular weight of 672.85 g/mol, XLogP of 13.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide is sourced from PubChem (CID 163590140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).