N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide

C53H38N2 — CID 167132034

IUPACN'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H38N2/c1-36(38-24-28-42(29-25-38)40-14-5-3-6-15-40)54-53(55-37(2)39-26-30-43(31-27-39)41-16-7-4-8-17-41)46-19-13-18-44(34-46)45-32-33-51-49-22-10-9-20-47(49)48-21-11-12-23-50(48)52(51)35-45/h3-35H,1H2,2H3/b54-53-,55-37+
InChIKeyKPBDVODDEWAUBS-KADIJPLMSA-N
MW702.90 g/mol
LogP14.07
Rot. Bonds7

About N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide

N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide (PubChem CID 167132034) has the molecular formula C53H38N2 and a molecular weight of 702.90 g/mol. Its IUPAC name is N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
PubChem CID167132034
Molecular FormulaC53H38N2
Molecular Weight702.90 g/mol
Exact Mass702.30
IUPAC NameN'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C53H38N2/c1-36(38-24-28-42(29-25-38)40-14-5-3-6-15-40)54-53(55-37(2)39-26-30-43(31-27-39)41-16-7-4-8-17-41)46-19-13-18-44(34-46)45-32-33-51-49-22-10-9-20-47(49)48-21-11-12-23-50(48)52(51)35-45/h3-35H,1H2,2H3/b54-53-,55-37+
InChIKeyKPBDVODDEWAUBS-KADIJPLMSA-N
XLogP14.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.90
LogP ≤ 514.07
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
1-[3-[3-[(3E)-penta-1,3-dien-3-yl]phenyl]phenyl]-N-[1-(4-phenylphenyl)ethenyl]ethanimine
CID 142394381
N-(1-pyridin-4-ylethylidene)-N'-[1-[2-(3-triphenylen-2-ylphenyl)phenyl]ethenyl]pyridine-4-carboximidamide
CID 166022897
N-(1-dibenzofuran-3-ylethylidene)-N'-(1-phenylethenyl)-8-(3-phenylphenyl)dibenzothiophene-1-carboximidamide
CID 163590140
4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716
3-phenyl-N'-[C-(3-phenylphenyl)-N-[1-(3-phenylphenyl)ethenyl]carbonimidoyl]benzenecarboximidamide
CID 145000761
3-(6-carbazol-9-yldibenzofuran-4-yl)-N'-(1-phenylethenyl)-N-(1-phenylethylidene)benzenecarboximidamide
CID 144782067
N'-[1-[7-(9,9-dimethylfluoren-4-yl)naphthalen-2-yl]ethenyl]-3-phenyl-N-[1-(3-phenylphenyl)ethylidene]benzenecarboximidamide
CID 144939324
N'-[(1R)-2-methyl-1-phenylbutyl]-N-[1-(3-triphenylen-2-ylphenyl)ethylidene]benzenecarboximidamide
CID 118964298
N'-[1-(3-dibenzothiophen-1-ylphenyl)ethenyl]-N-[1-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]ethylidene]benzenecarboximidamide
CID 163620186

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide?
The IUPAC name of N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide (CID 167132034) is N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide.
What is the SMILES notation for N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide?
The canonical SMILES for N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide is C=C(/N=C(\N=C(/C)c1ccc(-c2ccccc2)cc1)c1cccc(-c2ccc3c4ccccc4c4ccccc4c3c2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide?
The InChIKey is KPBDVODDEWAUBS-KADIJPLMSA-N. The full InChI is InChI=1S/C53H38N2/c1-36(38-24-28-42(29-25-38)40-14-5-3-6-15-40)54-53(55-37(2)39-26-30-43(31-27-39)41-16-7-4-8-17-41)46-19-13-18-44(34-46)45-32-33-51-49-22-10-9-20-47(49)48-21-11-12-23-50(48)52(51)35-45/h3-35H,1H2,2H3/b54-53-,55-37+.
What are the key properties of N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide?
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide has a molecular weight of 702.90 g/mol, XLogP of 14.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide is sourced from PubChem (CID 167132034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).