N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide

C40H31N3 — CID 178089674

IUPACN-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C40H31N3/c41-38(30-17-7-2-8-18-30)43-39(42-28-29-15-5-1-6-16-29)31-25-26-37-35(27-31)34-23-13-14-24-36(34)40(37,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-27H,28H2,(H2,41,42,43)
InChIKeyLKTNVZKYKSANIQ-UHFFFAOYSA-N
MW553.71 g/mol
LogP8.40
Rot. Bonds6

About N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide

N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide (PubChem CID 178089674) has the molecular formula C40H31N3 and a molecular weight of 553.71 g/mol. Its IUPAC name is N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide.

Molecular Properties

Compound NameN-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
PubChem CID178089674
Molecular FormulaC40H31N3
Molecular Weight553.71 g/mol
Exact Mass553.25
IUPAC NameN-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C40H31N3/c41-38(30-17-7-2-8-18-30)43-39(42-28-29-15-5-1-6-16-29)31-25-26-37-35(27-31)34-23-13-14-24-36(34)40(37,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-27H,28H2,(H2,41,42,43)
InChIKeyLKTNVZKYKSANIQ-UHFFFAOYSA-N
XLogP8.40
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 58.40
H-Bond Donors ≤ 51
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-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
CID 135245534
4-phenyl-N'-[C-phenyl-N-[[3-[(2,9,9-triphenylfluoren-3-yl)amino]phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 121323520
N'-(N-benzyl-C-phenylcarbonimidoyl)-4-spiro[acridine-9,9'-fluorene]-10-ylbenzenecarboximidamide
CID 163554840
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
4-phenyl-N'-[C-phenyl-N-[[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 145452740
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
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
N'-(N-benzyl-C-phenylcarbonimidoyl)-6-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-4-carboximidamide
CID 156646981
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N'-[N-benzyl-C-[3-(3-phenylphenyl)phenyl]carbonimidoyl]-9,9-dimethylfluorene-4-carboximidamide
CID 145237270
N'-[N-benzyl-C-[4-[3-[N'-(N-benzyl-C-phenylcarbonimidoyl)carbamimidoyl]phenyl]naphthalen-2-yl]carbonimidoyl]-9,9-dimethylxanthene-3-carboximidamide
CID 174266484
CID 164799746
CID 164799746

Frequently Asked Questions

What is the IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide?
The IUPAC name of N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide (CID 178089674) is N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide.
What is the SMILES notation for N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide?
The canonical SMILES for N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide is N/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)-c1ccccc1C2(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide?
The InChIKey is LKTNVZKYKSANIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3/c41-38(30-17-7-2-8-18-30)43-39(42-28-29-15-5-1-6-16-29)31-25-26-37-35(27-31)34-23-13-14-24-36(34)40(37,32-19-9-3-10-20-32)33-21-11-4-12-22-33/h1-27H,28H2,(H2,41,42,43).
What are the key properties of N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide?
N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide has a molecular weight of 553.71 g/mol, XLogP of 8.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide is sourced from PubChem (CID 178089674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).