9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine

C27H24N6 — CID 142938358

IUPAC9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
SMILESNN.[H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C27H20N4.H4N2/c28-16-21-5-1-2-6-22(21)19-11-9-18(10-12-19)17-31-25-8-4-3-7-23(25)24-15-20(27(29)30)13-14-26(24)31;1-2/h1-15H,17H2,(H3,29,30);1-2H2
InChIKeyJGPLCIIAVSJDLV-UHFFFAOYSA-N
MW432.53 g/mol
LogP4.48
Rot. Bonds4

About 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine

9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine (PubChem CID 142938358) has the molecular formula C27H24N6 and a molecular weight of 432.53 g/mol. Its IUPAC name is 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine.

Molecular Properties

Compound Name9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
PubChem CID142938358
Molecular FormulaC27H24N6
Molecular Weight432.53 g/mol
Exact Mass432.21
IUPAC Name9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
SMILESNN.[H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C27H20N4.H4N2/c28-16-21-5-1-2-6-22(21)19-11-9-18(10-12-19)17-31-25-8-4-3-7-23(25)24-15-20(27(29)30)13-14-26(24)31;1-2/h1-15H,17H2,(H3,29,30);1-2H2
InChIKeyJGPLCIIAVSJDLV-UHFFFAOYSA-N
XLogP4.48
TPSA130.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.53
LogP ≤ 54.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
9-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
2-[4-[(2-ethyl-4-oxoquinazolin-1-yl)methyl]phenyl]benzonitrile
CID 19087819
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide
CID 142911045
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[1-(4-methylphenyl)ethyl]indole-5-carboxamide
CID 71074810
1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethyl-N-[1-(4-propan-2-ylphenyl)ethyl]indole-5-carboxamide
CID 71075015
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 163863733
N-[1-(2-chlorophenyl)ethyl]-1-[[4-(2-cyanophenyl)phenyl]methyl]-2,3-dimethylindole-5-carboxamide
CID 71074913

Frequently Asked Questions

What is the IUPAC name of 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine?
The IUPAC name of 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine (CID 142938358) is 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine.
What is the SMILES notation for 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine?
The canonical SMILES for 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine is NN.[H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine?
The InChIKey is JGPLCIIAVSJDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4.H4N2/c28-16-21-5-1-2-6-22(21)19-11-9-18(10-12-19)17-31-25-8-4-3-7-23(25)24-15-20(27(29)30)13-14-26(24)31;1-2/h1-15H,17H2,(H3,29,30);1-2H2.
What are the key properties of 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine?
9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine has a molecular weight of 432.53 g/mol, XLogP of 4.48, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine is sourced from PubChem (CID 142938358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).