N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide

C53H48N2 — CID 146384812

IUPACN-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc(-c2ccccc2)cc1)C1=CCCC=C1)c1ccc(C2(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)CCCCC2)cc1
InChIInChI=1S/C53H48N2/c1-39(41-24-26-45(27-25-41)43-16-7-3-8-17-43)54-52(47-20-11-5-12-21-47)55-40(2)42-28-32-50(33-29-42)53(36-13-6-14-37-53)51-34-30-46(31-35-51)49-23-15-22-48(38-49)44-18-9-4-10-19-44/h3-4,7-11,15-35,38H,2,5-6,12-14,36-37H2,1H3/b54-39+,55-52-
InChIKeyWSBNBLBJBUCZEL-HAAGQXFLSA-N
MW712.98 g/mol
LogP14.09
Rot. Bonds9

About N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide

N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide (PubChem CID 146384812) has the molecular formula C53H48N2 and a molecular weight of 712.98 g/mol. Its IUPAC name is N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound NameN-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide
PubChem CID146384812
Molecular FormulaC53H48N2
Molecular Weight712.98 g/mol
Exact Mass712.38
IUPAC NameN-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide
SMILESC=C(/N=C(\N=C(/C)c1ccc(-c2ccccc2)cc1)C1=CCCC=C1)c1ccc(C2(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)CCCCC2)cc1
InChIInChI=1S/C53H48N2/c1-39(41-24-26-45(27-25-41)43-16-7-3-8-17-43)54-52(47-20-11-5-12-21-47)55-40(2)42-28-32-50(33-29-42)53(36-13-6-14-37-53)51-34-30-46(31-35-51)49-23-15-22-48(38-49)44-18-9-4-10-19-44/h3-4,7-11,15-35,38H,2,5-6,12-14,36-37H2,1H3/b54-39+,55-52-
InChIKeyWSBNBLBJBUCZEL-HAAGQXFLSA-N
XLogP14.09
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.98
LogP ≤ 514.09
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-cyclohexa-1,5-dien-1-ylethenyl)-4-phenyl-N-[1-[4-[1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]cyclohexyl]phenyl]ethylidene]benzenecarboximidamide
CID 146384886
N'-[1-[4-[1-[4-(4-cyclohexa-1,5-dien-1-ylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]-N-(1-naphthalen-1-ylethylidene)cyclohexa-1,5-diene-1-carboximidamide
CID 146384821
N-[(Z)-1-[4-[1-[4-(2-cyclohexa-1,5-dien-1-yl-6-phenylpyrimidin-4-yl)phenyl]cyclohexyl]phenyl]-3-phenylprop-1-enyl]-1-phenylethanimine
CID 146384889
N'-[1-(4-phenylphenyl)ethenyl]-N-[1-(4-phenylphenyl)ethylidene]-3-triphenylen-2-ylbenzenecarboximidamide
CID 167132034
2,4-diphenyl-6-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]-1,3,5-triazine
CID 121315417
N'-(1-phenylethenyl)-N-[1-[(13S)-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,10'-9H-phenanthrene]-16-yl]ethylidene]cyclohexa-1,5-diene-1-carboximidamide
CID 137383672
(E)-3-cyclohexa-1,5-dien-1-yl-3-[4-[1-[4-[(2Z)-hepta-2,6-dienyl]phenyl]cyclohexyl]phenyl]-N-methyl-1-phenylprop-2-en-1-imine;ethane
CID 145073450
N'-(1-phenylethenyl)-N-(1-phenylethylidene)-4-(2,3,4,5-tetraphenylphenyl)benzenecarboximidamide
CID 170118544
N'-[1-[3-(3,4-dimethylphenyl)phenyl]ethenyl]-N-(1-phenylethylidene)benzenecarboximidamide
CID 155691013
N'-[1-[3-[4-[2-[4-[2-(2-methylphenyl)phenyl]phenyl]phenyl]-3-[(1Z,3Z)-penta-1,3-dienyl]indol-1-yl]phenyl]ethenyl]-N-(1-phenylethylidene)cyclohexa-1,5-diene-1-carboximidamide
CID 145322219
N-[1-[6-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-3-yl]ethylidene]-N'-(1-phenylethenyl)cyclohexa-1,5-diene-1-carboximidamide
CID 146477853
4-dibenzothiophen-1-yl-N-(1-phenylethylidene)-N'-[1-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]ethenyl]benzenecarboximidamide
CID 163992716

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide (CID 146384812) is N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide is C=C(/N=C(\N=C(/C)c1ccc(-c2ccccc2)cc1)C1=CCCC=C1)c1ccc(C2(c3ccc(-c4cccc(-c5ccccc5)c4)cc3)CCCCC2)cc1.
What is the InChIKey of N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is WSBNBLBJBUCZEL-HAAGQXFLSA-N. The full InChI is InChI=1S/C53H48N2/c1-39(41-24-26-45(27-25-41)43-16-7-3-8-17-43)54-52(47-20-11-5-12-21-47)55-40(2)42-28-32-50(33-29-42)53(36-13-6-14-37-53)51-34-30-46(31-35-51)49-23-15-22-48(38-49)44-18-9-4-10-19-44/h3-4,7-11,15-35,38H,2,5-6,12-14,36-37H2,1H3/b54-39+,55-52-.
What are the key properties of N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide?
N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 712.98 g/mol, XLogP of 14.09, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenylphenyl)ethylidene]-N'-[1-[4-[1-[4-(3-phenylphenyl)phenyl]cyclohexyl]phenyl]ethenyl]cyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 146384812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).