[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene

C20H14Cl2N4O2 — CID 86079697

IUPAC[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)c2ccccc2n3CCCl)c(Cl)c1
InChIInChI=1S/C20H14Cl2N4O2/c21-9-10-25-19-4-2-1-3-15(19)16-11-13(5-8-20(16)25)23-24-18-7-6-14(26(27)28)12-17(18)22/h1-8,11-12H,9-10H2/b24-23+
InChIKeyHPYQLSBSUQVLGZ-WCWDXBQESA-N
MW413.26 g/mol
LogP7.01
Rot. Bonds5

About [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene

[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene (PubChem CID 86079697) has the molecular formula C20H14Cl2N4O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene.

Molecular Properties

Compound Name[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene
PubChem CID86079697
Molecular FormulaC20H14Cl2N4O2
Molecular Weight413.26 g/mol
Exact Mass412.05
IUPAC Name[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)c2ccccc2n3CCCl)c(Cl)c1
InChIInChI=1S/C20H14Cl2N4O2/c21-9-10-25-19-4-2-1-3-15(19)16-11-13(5-8-20(16)25)23-24-18-7-6-14(26(27)28)12-17(18)22/h1-8,11-12H,9-10H2/b24-23+
InChIKeyHPYQLSBSUQVLGZ-WCWDXBQESA-N
XLogP7.01
TPSA72.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-carbazol-9-ylhexoxy)phenyl]-(2-methyl-4-nitrophenyl)diazene
CID 71365460
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
(2-chloronaphthalen-1-yl)-(2-chloro-4-nitrophenyl)diazene
CID 14062040
trimethyl-[3-(3-nitrocarbazol-9-yl)propyl]silane
CID 174964795
3-[3-[(4-nitrophenyl)diazenyl]carbazol-9-yl]propyl 2-methylprop-2-enoate
CID 102506876
N,N-dimethyl-3-(3-nitrocarbazol-9-yl)propan-1-amine
CID 15621619
11-(3-nitrocarbazol-9-yl)undecanoic acid
CID 51056130
4-[(2-chloro-4-nitrophenyl)diazenyl]-N,N-bis(2-methoxyethyl)aniline
CID 71320186
N-(12-carbazol-9-yldodecyl)-4-[(4-nitrophenyl)diazenyl]aniline
CID 11250105
ethane;3-nitro-9-[2-(oxan-2-yloxy)ethyl]carbazole
CID 145023696
3-nitro-9-(prop-2-enoxymethyl)carbazole
CID 12067576
9-benzyl-3,6-dinitrocarbazole
CID 5059102

Frequently Asked Questions

What is the IUPAC name of [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene?
The IUPAC name of [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene (CID 86079697) is [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene.
What is the SMILES notation for [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene?
The canonical SMILES for [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/c2ccc3c(c2)c2ccccc2n3CCCl)c(Cl)c1.
What is the InChIKey of [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene?
The InChIKey is HPYQLSBSUQVLGZ-WCWDXBQESA-N. The full InChI is InChI=1S/C20H14Cl2N4O2/c21-9-10-25-19-4-2-1-3-15(19)16-11-13(5-8-20(16)25)23-24-18-7-6-14(26(27)28)12-17(18)22/h1-8,11-12H,9-10H2/b24-23+.
What are the key properties of [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene?
[9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene has a molecular weight of 413.26 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2-chloroethyl)carbazol-3-yl]-(2-chloro-4-nitrophenyl)diazene is sourced from PubChem (CID 86079697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).