N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide

C53H40N2 — CID 170118544

IUPACN'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C53H40N2/c1-38(40-21-9-3-10-22-40)54-53(55-39(2)41-23-11-4-12-24-41)47-35-33-43(34-36-47)49-37-48(42-25-13-5-14-26-42)50(44-27-15-6-16-28-44)52(46-31-19-8-20-32-46)51(49)45-29-17-7-18-30-45/h3-37H,1H2,2H3/b54-53-,55-39+
InChIKeyHUXXPWABLUJOLI-DIFBKGAUSA-N
MW704.92 g/mol
LogP13.95
Rot. Bonds9

About N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide

N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide (PubChem CID 170118544) has the molecular formula C53H40N2 and a molecular weight of 704.92 g/mol. Its IUPAC name is N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
PubChem CID170118544
Molecular FormulaC53H40N2
Molecular Weight704.92 g/mol
Exact Mass704.32
IUPAC NameN'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccccc1)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C53H40N2/c1-38(40-21-9-3-10-22-40)54-53(55-39(2)41-23-11-4-12-24-41)47-35-33-43(34-36-47)49-37-48(42-25-13-5-14-26-42)50(44-27-15-6-16-28-44)52(46-31-19-8-20-32-46)51(49)45-29-17-7-18-30-45/h3-37H,1H2,2H3/b54-53-,55-39+
InChIKeyHUXXPWABLUJOLI-DIFBKGAUSA-N
XLogP13.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.92
LogP ≤ 513.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(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
3-bromo-5-phenyl-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide;methane
CID 145257325
4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716
N'-(1-phenylethenyl)-N-[1-[2-phenyl-3-(4-spiro[fluorene-9,9'-thioxanthene]-2'-ylphenyl)phenyl]ethylidene]benzenecarboximidamide
CID 174328011
N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide
CID 144939324
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
2,3,4-tris(4-tert-butylphenyl)-1,5-bis[4-(1,2,2-triphenylethenyl)phenyl]benzene
CID 132596356
3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 144782067
9-(5,5-dioxodibenzothiophen-2-yl)-N'-(1-phenylethenyl)-N-[1-(4-phenylphenyl)ethylidene]dibenzofuran-1-carboximidamide
CID 169131863
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
N'-[N-[1-[4-[4,6-bis(4-phenylphenyl)benzo[h]quinolin-2-yl]phenyl]ethenyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 89016678

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide?
The IUPAC name of N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide (CID 170118544) is N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide.
What is the SMILES notation for N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide?
The canonical SMILES for N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide is C=C(/N=C(\N=C(/C)c1ccccc1)c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide?
The InChIKey is HUXXPWABLUJOLI-DIFBKGAUSA-N. The full InChI is InChI=1S/C53H40N2/c1-38(40-21-9-3-10-22-40)54-53(55-39(2)41-23-11-4-12-24-41)47-35-33-43(34-36-47)49-37-48(42-25-13-5-14-26-42)50(44-27-15-6-16-28-44)52(46-31-19-8-20-32-46)51(49)45-29-17-7-18-30-45/h3-37H,1H2,2H3/b54-53-,55-39+.
What are the key properties of N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide?
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide has a molecular weight of 704.92 g/mol, XLogP of 13.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide is sourced from PubChem (CID 170118544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).