N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide

C46H35N3 — CID 135245534

IUPACN-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1-c1ccccc1
InChIInChI=1S/C46H35N3/c47-44(41-27-14-13-25-38(41)34-19-7-2-8-20-34)49-45(48-32-33-17-5-1-6-18-33)35-29-30-40-39-26-15-16-28-42(39)46(43(40)31-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-31H,32H2,(H2,47,48,49)
InChIKeyLNKMNHNPAVGXFV-UHFFFAOYSA-N
MW629.81 g/mol
LogP10.07
Rot. Bonds7

About N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide

N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide (PubChem CID 135245534) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide.

Molecular Properties

Compound NameN-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
PubChem CID135245534
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC NameN-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide
SMILESN/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1-c1ccccc1
InChIInChI=1S/C46H35N3/c47-44(41-27-14-13-25-38(41)34-19-7-2-8-20-34)49-45(48-32-33-17-5-1-6-18-33)35-29-30-40-39-26-15-16-28-42(39)46(43(40)31-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-31H,32H2,(H2,47,48,49)
InChIKeyLNKMNHNPAVGXFV-UHFFFAOYSA-N
XLogP10.07
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 510.07
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(phenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-3-carboximidamide
CID 178089674
4-phenyl-N'-[C-phenyl-N-[[3-[(2,9,9-triphenylfluoren-3-yl)amino]phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 121323520
N'-[N-benzyl-C-[3-(3-phenylphenyl)phenyl]carbonimidoyl]-9,9-dimethylfluorene-4-carboximidamide
CID 145237270
N-methylidene-4-phenyl-N'-[C-phenyl-N-[[3-(9-phenylfluoren-9-yl)phenyl]methyl]carbonimidoyl]benzenecarboximidamide
CID 138642968
N'-(N-benzyl-C-phenylcarbonimidoyl)-6-(9,9'-spirobi[fluorene]-1-yl)dibenzofuran-4-carboximidamide
CID 156646981
N-[amino(phenyl)methylidene]-N'-benzyl-2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzenecarboximidamide
CID 135247317
N-[amino(phenyl)methylidene]-4-(2,5-diphenylphenyl)-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 171052336
N'-[N-[[7'-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-yl]methyl]-C-(4-phenylphenyl)carbonimidoyl]-N-methylidene-4-phenylbenzenecarboximidamide
CID 139376532
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'-(N-benzyl-C-naphthalen-2-ylcarbonimidoyl)-9-naphthalen-2-yldibenzofuran-1-carboximidamide
CID 170218964
N-[amino(phenyl)methylidene]-N'-[(4-phenylphenyl)methyl]-3-[2-(3-phenylphenyl)phenyl]benzenecarboximidamide
CID 171052549
4-phenyl-N'-[C-phenyl-N-[[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]methyl]carbonimidoyl]benzenecarboximidamide
CID 145452740

Frequently Asked Questions

What is the IUPAC name of N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide?
The IUPAC name of N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide (CID 135245534) is N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide.
What is the SMILES notation for N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide?
The canonical SMILES for N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide is N/C(=N\C(=N\Cc1ccccc1)c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide?
The InChIKey is LNKMNHNPAVGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c47-44(41-27-14-13-25-38(41)34-19-7-2-8-20-34)49-45(48-32-33-17-5-1-6-18-33)35-29-30-40-39-26-15-16-28-42(39)46(43(40)31-35,36-21-9-3-10-22-36)37-23-11-4-12-24-37/h1-31H,32H2,(H2,47,48,49).
What are the key properties of N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide?
N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide has a molecular weight of 629.81 g/mol, XLogP of 10.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-(2-phenylphenyl)methylidene]-N'-benzyl-9,9-diphenylfluorene-2-carboximidamide is sourced from PubChem (CID 135245534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).