9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole

C24H24N2O5 — CID 138505630

IUPAC9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
SMILESCCOCCOCCOc1ccc(-n2c3ccccc3c3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C24H24N2O5/c1-2-29-13-14-30-15-16-31-20-10-7-18(8-11-20)25-23-6-4-3-5-21(23)22-17-19(26(27)28)9-12-24(22)25/h3-12,17H,2,13-16H2,1H3
InChIKeyAOHVTORUIKZFKE-UHFFFAOYSA-N
MW420.47 g/mol
LogP5.12
Rot. Bonds10

About 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole

9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole (PubChem CID 138505630) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole.

Molecular Properties

Compound Name9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
PubChem CID138505630
Molecular FormulaC24H24N2O5
Molecular Weight420.47 g/mol
Exact Mass420.17
IUPAC Name9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
SMILESCCOCCOCCOc1ccc(-n2c3ccccc3c3cc([N+](=O)[O-])ccc32)cc1
InChIInChI=1S/C24H24N2O5/c1-2-29-13-14-30-15-16-31-20-10-7-18(8-11-20)25-23-6-4-3-5-21(23)22-17-19(26(27)28)9-12-24(22)25/h3-12,17H,2,13-16H2,1H3
InChIKeyAOHVTORUIKZFKE-UHFFFAOYSA-N
XLogP5.12
TPSA75.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole 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

3-nitro-9-(4-nitrophenyl)carbazole
CID 23847398
3-nitro-9-phenylcarbazole;9-phenylcarbazole
CID 159323942
3-methyl-9-[4-[4-(3-nitrocarbazol-9-yl)phenyl]phenyl]carbazole
CID 22944348
1-nitro-4-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 13072768
9-(carbazol-9-ylmethyl)-3-nitrocarbazole
CID 15716134
3-nitro-9-(prop-2-enoxymethyl)carbazole
CID 12067576
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
9-(4-nitrophenyl)pyrido[3,4-b]indole
CID 5239144
9-(4-ethenylphenyl)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]carbazole
CID 102342302
[(Z)-1-[2-methyl-4-(3-nitrocarbazol-9-yl)phenyl]butylideneamino] acetate
CID 145437407
2-[2-[2-[2-[2-[2-[2-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 170563879
1-(4-nitrophenyl)-2-phenylquinolin-4-one
CID 44632197

Frequently Asked Questions

What is the IUPAC name of 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole?
The IUPAC name of 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole (CID 138505630) is 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole.
What is the SMILES notation for 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole?
The canonical SMILES for 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole is CCOCCOCCOc1ccc(-n2c3ccccc3c3cc([N+](=O)[O-])ccc32)cc1.
What is the InChIKey of 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole?
The InChIKey is AOHVTORUIKZFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c1-2-29-13-14-30-15-16-31-20-10-7-18(8-11-20)25-23-6-4-3-5-21(23)22-17-19(26(27)28)9-12-24(22)25/h3-12,17H,2,13-16H2,1H3.
What are the key properties of 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole?
9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole has a molecular weight of 420.47 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole is sourced from PubChem (CID 138505630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).