N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

C56H42N4 — CID 145322422

IUPACN'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
SMILESC=Cc1nc(-c2ccc(-c3cc(C/N=C(\N=C(/N)c4ccccc4)c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc23)c2ccccc2c1C=C
InChIInChI=1S/C56H42N4/c1-3-46-48-27-16-17-30-51(48)54(59-53(46)4-2)52-32-31-47(49-28-14-15-29-50(49)52)45-34-38(33-44(36-45)43-26-18-25-42(35-43)39-19-8-5-9-20-39)37-58-56(41-23-12-7-13-24-41)60-55(57)40-21-10-6-11-22-40/h3-36H,1-2,37H2,(H2,57,58,60)
InChIKeyXCQWDRKYCSYBOI-UHFFFAOYSA-N
MW770.98 g/mol
LogP13.69
Rot. Bonds10

About N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide

N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide (PubChem CID 145322422) has the molecular formula C56H42N4 and a molecular weight of 770.98 g/mol. Its IUPAC name is N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
PubChem CID145322422
Molecular FormulaC56H42N4
Molecular Weight770.98 g/mol
Exact Mass770.34
IUPAC NameN'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
SMILESC=Cc1nc(-c2ccc(-c3cc(C/N=C(\N=C(/N)c4ccccc4)c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc23)c2ccccc2c1C=C
InChIInChI=1S/C56H42N4/c1-3-46-48-27-16-17-30-51(48)54(59-53(46)4-2)52-32-31-47(49-28-14-15-29-50(49)52)45-34-38(33-44(36-45)43-26-18-25-42(35-43)39-19-8-5-9-20-39)37-58-56(41-23-12-7-13-24-41)60-55(57)40-21-10-6-11-22-40/h3-36H,1-2,37H2,(H2,57,58,60)
InChIKeyXCQWDRKYCSYBOI-UHFFFAOYSA-N
XLogP13.69
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.98
LogP ≤ 513.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]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

N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
3-[9,10-bis(ethenyl)phenanthren-4-yl]-5-naphthalen-1-yl-N'-[C-phenyl-N-(1-phenylethenyl)carbonimidoyl]benzenecarboximidamide
CID 144775630
N'-[C-(4-methylphenyl)-N-[(3-phenylphenyl)methyl]carbonimidoyl]-3-phenylbenzenecarboximidamide
CID 144645775
N-[amino(phenyl)methylidene]-3-naphtho[1,2-b][1]benzofuran-4-yl-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 177112541
N-methylidene-N'-[N-[[3-naphthalen-2-yl-5-(4-phenanthridin-6-ylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 145322428
4-phenyl-N'-[C-phenyl-N-[[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 145452740
N-[amino-(3-phenylphenyl)methylidene]-N'-benzylpentacyclo[12.8.0.02,7.08,13.015,20]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene-21-carboximidamide
CID 145340289
N'-benzylbenzenecarboximidamide;N-[[3-[3-(4,6,8-triphenyldibenzofuran-1-yl)phenyl]phenyl]methyl]methanimine
CID 153340652
N'-benzyl-3-[3,4-bis(ethenyl)naphthalen-1-yl]-N-methylidene-5-quinolin-5-ylbenzenecarboximidamide
CID 144775603
N'-[N-benzyl-C-[4-[3-[N'-(N-benzyl-C-phenylcarbonimidoyl)carbamimidoyl]phenyl]naphthalen-2-yl]carbonimidoyl]-9,9-dimethylxanthene-3-carboximidamide
CID 174266484
N,N-dimethyl-N'-[C-phenyl-N-[(3-phenylphenyl)methyl]carbonimidoyl]-2-(3-triphenylen-2-ylphenyl)benzenecarboximidamide
CID 137397688

Frequently Asked Questions

What is the IUPAC name of N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The IUPAC name of N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide (CID 145322422) is N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide.
What is the SMILES notation for N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The canonical SMILES for N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide is C=Cc1nc(-c2ccc(-c3cc(C/N=C(\N=C(/N)c4ccccc4)c4ccccc4)cc(-c4cccc(-c5ccccc5)c4)c3)c3ccccc23)c2ccccc2c1C=C.
What is the InChIKey of N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
The InChIKey is XCQWDRKYCSYBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H42N4/c1-3-46-48-27-16-17-30-51(48)54(59-53(46)4-2)52-32-31-47(49-28-14-15-29-50(49)52)45-34-38(33-44(36-45)43-26-18-25-42(35-43)39-19-8-5-9-20-39)37-58-56(41-23-12-7-13-24-41)60-55(57)40-21-10-6-11-22-40/h3-36H,1-2,37H2,(H2,57,58,60).
What are the key properties of N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide?
N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide has a molecular weight of 770.98 g/mol, XLogP of 13.69, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-[[3-[4-[3,4-bis(ethenyl)isoquinolin-1-yl]naphthalen-1-yl]-5-(3-phenylphenyl)phenyl]methyl]-C-phenylcarbonimidoyl]benzenecarboximidamide is sourced from PubChem (CID 145322422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).