N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide

C20H16FN5 — CID 142911278

IUPACN'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1F
InChIInChI=1S/C20H16FN5/c21-17-7-3-1-5-14(17)12-26-18-8-4-2-6-15(18)16-11-13(9-10-19(16)26)20(22)24-25-23/h1-11H,12H2,(H3,22,23,24)
InChIKeyVHETUMZVCZYGEN-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.63
Rot. Bonds4

About N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide

N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide (PubChem CID 142911278) has the molecular formula C20H16FN5 and a molecular weight of 345.38 g/mol. Its IUPAC name is N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
PubChem CID142911278
Molecular FormulaC20H16FN5
Molecular Weight345.38 g/mol
Exact Mass345.14
IUPAC NameN'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1F
InChIInChI=1S/C20H16FN5/c21-17-7-3-1-5-14(17)12-26-18-8-4-2-6-15(18)16-11-13(9-10-19(16)26)20(22)24-25-23/h1-11H,12H2,(H3,22,23,24)
InChIKeyVHETUMZVCZYGEN-UHFFFAOYSA-N
XLogP4.63
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
CID 154537128
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
N'-diazenyl-1-[(2-iodophenyl)methyl]indole-5-carboximidamide
CID 142938901
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
1-[4-(N'-diazenylcarbamimidoyl)phenyl]indole-3-carboxamide
CID 163898338
3-[1-[(2-fluorophenyl)methyl]-2-methylindol-3-yl]propan-1-amine
CID 170878721

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide?
The IUPAC name of N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide (CID 142911278) is N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide.
What is the SMILES notation for N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide?
The canonical SMILES for N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide is [H]/N=N/N=C(N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1F.
What is the InChIKey of N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide?
The InChIKey is VHETUMZVCZYGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5/c21-17-7-3-1-5-14(17)12-26-18-8-4-2-6-15(18)16-11-13(9-10-19(16)26)20(22)24-25-23/h1-11H,12H2,(H3,22,23,24).
What are the key properties of N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide?
N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide has a molecular weight of 345.38 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide is sourced from PubChem (CID 142911278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).