[(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide

C20H21BrN5- — CID 163858199

IUPAC[(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide
SMILES[N-]=C(/N=N/N)c1ccc2c(c1)c1ccccc1n2CC1CCC(Br)CC1
InChIInChI=1S/C20H21BrN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20(22)24-25-23/h1-4,7,10-11,13,15H,5-6,8-9,12H2,(H2-,22,23,24)/q-1
InChIKeyPAEYWPHDDJGLOP-UHFFFAOYSA-N
MW411.33 g/mol
LogP5.39
Rot. Bonds3

About [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide

[(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide (PubChem CID 163858199) has the molecular formula C20H21BrN5- and a molecular weight of 411.33 g/mol. Its IUPAC name is [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide.

Molecular Properties

Compound Name[(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide
PubChem CID163858199
Molecular FormulaC20H21BrN5-
Molecular Weight411.33 g/mol
Exact Mass410.10
IUPAC Name[(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide
SMILES[N-]=C(/N=N/N)c1ccc2c(c1)c1ccccc1n2CC1CCC(Br)CC1
InChIInChI=1S/C20H21BrN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20(22)24-25-23/h1-4,7,10-11,13,15H,5-6,8-9,12H2,(H2-,22,23,24)/q-1
InChIKeyPAEYWPHDDJGLOP-UHFFFAOYSA-N
XLogP5.39
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.33
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

9-(cyclobutylmethyl)carbazole
CID 130274210
9-(cyclopropylmethyl)carbazole-3-carbonitrile
CID 117368332
(7E)-5-(cyclopropylmethyl)-7-hydroxyiminobenzo[d][1]benzazepin-6-one
CID 87622043
[(aminodiazenyl)-[9-[(2,4,6-trimethylphenyl)methyl]carbazol-3-yl]methylidene]azanium
CID 142938701
3-bromo-9-(cyclopropylmethyl)carbazole-1-carboxamide
CID 141418547
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
9-ethylcarbazole-3-carboxylic acid
CID 4912869
9-ethyl-3-[(E)-2-(9-ethylcarbazol-3-yl)-1,2-diphenylethenyl]carbazole
CID 102220131
2-[9-(cyanomethyl)carbazol-3-yl]-1-(cyclopropylmethyl)benzimidazole-5-carboxylic acid
CID 129161138
9-ethylcarbazole-3-carboxylate
CID 7148416

Frequently Asked Questions

What is the IUPAC name of [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide?
The IUPAC name of [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide (CID 163858199) is [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide.
What is the SMILES notation for [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide?
The canonical SMILES for [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide is [N-]=C(/N=N/N)c1ccc2c(c1)c1ccccc1n2CC1CCC(Br)CC1.
What is the InChIKey of [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide?
The InChIKey is PAEYWPHDDJGLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN5/c21-15-8-5-13(6-9-15)12-26-18-4-2-1-3-16(18)17-11-14(7-10-19(17)26)20(22)24-25-23/h1-4,7,10-11,13,15H,5-6,8-9,12H2,(H2-,22,23,24)/q-1.
What are the key properties of [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide?
[(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide has a molecular weight of 411.33 g/mol, XLogP of 5.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(aminodiazenyl)-[9-[(4-bromocyclohexyl)methyl]carbazol-3-yl]methylidene]azanide is sourced from PubChem (CID 163858199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).