N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide

C46H34N4 — CID 163554840

IUPACN'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C46H34N4/c47-44(49-45(34-17-5-2-6-18-34)48-31-32-15-3-1-4-16-32)33-27-29-35(30-28-33)50-42-25-13-11-23-40(42)46(41-24-12-14-26-43(41)50)38-21-9-7-19-36(38)37-20-8-10-22-39(37)46/h1-30H,31H2,(H2,47,48,49)
InChIKeyAQQUGIQGLVTIHV-UHFFFAOYSA-N
MW642.81 g/mol
LogP10.19
Rot. Bonds5

About N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide

N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide (PubChem CID 163554840) has the molecular formula C46H34N4 and a molecular weight of 642.81 g/mol. Its IUPAC name is N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide
PubChem CID163554840
Molecular FormulaC46H34N4
Molecular Weight642.81 g/mol
Exact Mass642.28
IUPAC NameN'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1
InChIInChI=1S/C46H34N4/c47-44(49-45(34-17-5-2-6-18-34)48-31-32-15-3-1-4-16-32)33-27-29-35(30-28-33)50-42-25-13-11-23-40(42)46(41-24-12-14-26-43(41)50)38-21-9-7-19-36(38)37-20-8-10-22-39(37)46/h1-30H,31H2,(H2,47,48,49)
InChIKeyAQQUGIQGLVTIHV-UHFFFAOYSA-N
XLogP10.19
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.81
LogP ≤ 510.19
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'}

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Related Compounds

N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
CID 178089674
N-[amino-(4-spiro[acridine-9,2'-adamantane]-10-ylphenyl)methylidene]-4-methyl-N'-[(4-methylphenyl)methyl]benzenecarboximidamide
CID 163554841
4-phenyl-N'-[C-phenyl-N-[[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 145452740
N-[amino-(4-spiro[acridine-9,2'-adamantane]-10-ylphenyl)methylidene]-4-methyl-N'-[(4-methylphenyl)methyl]benzenecarboximidamide;N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide;10-(3-carbazol-9-ylphenyl)-7-isocyano-9,9-dimethylacridine-2-carbonitrile
CID 163554838
N'-(N-benzyl-C-phenylcarbonimidoyl)-6-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-4-carboximidamide
CID 156646981
N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
CID 135245534
N-[amino(phenyl)methylidene]-N'-benzyl-4-[4-(3,6-dimethylcarbazol-9-yl)phenyl]benzenecarboximidamide
CID 155203954
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N'-[N-[[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]phenanthrene-2-carboximidamide
CID 139342105
N-[amino(phenyl)methylidene]-N'-benzyl-3-[(2E,4E)-5-(9,9-dimethylfluoren-1-yl)hepta-2,4,6-trien-3-yl]benzenecarboximidamide
CID 145110712
3-benzyl-10-phenylspiro[acridine-9,9'-fluorene]
CID 158758240
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968

Frequently Asked Questions

What is the IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide?
The IUPAC name of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide (CID 163554840) is N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide.
What is the SMILES notation for N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide?
The canonical SMILES for N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide is N/C(=N\C(=N\Cc1ccccc1)c1ccccc1)c1ccc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccccc32)cc1.
What is the InChIKey of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide?
The InChIKey is AQQUGIQGLVTIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34N4/c47-44(49-45(34-17-5-2-6-18-34)48-31-32-15-3-1-4-16-32)33-27-29-35(30-28-33)50-42-25-13-11-23-40(42)46(41-24-12-14-26-43(41)50)38-21-9-7-19-36(38)37-20-8-10-22-39(37)46/h1-30H,31H2,(H2,47,48,49).
What are the key properties of N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide?
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide has a molecular weight of 642.81 g/mol, XLogP of 10.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide is sourced from PubChem (CID 163554840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).