1-(4-nitrophenoxy)-9H-carbazole

C18H12N2O3 — CID 150278984

IUPAC1-(4-nitrophenoxy)-9H-carbazole
SMILESO=[N+]([O-])c1ccc(Oc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C18H12N2O3/c21-20(22)12-8-10-13(11-9-12)23-17-7-3-5-15-14-4-1-2-6-16(14)19-18(15)17/h1-11,19H
InChIKeyGFEDLPKCPMFPDO-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.02
Rot. Bonds3

About 1-(4-nitrophenoxy)-9H-carbazole

1-(4-nitrophenoxy)-9H-carbazole (PubChem CID 150278984) has the molecular formula C18H12N2O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 1-(4-nitrophenoxy)-9H-carbazole.

Molecular Properties

Compound Name1-(4-nitrophenoxy)-9H-carbazole
PubChem CID150278984
Molecular FormulaC18H12N2O3
Molecular Weight304.31 g/mol
Exact Mass304.08
IUPAC Name1-(4-nitrophenoxy)-9H-carbazole
SMILESO=[N+]([O-])c1ccc(Oc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C18H12N2O3/c21-20(22)12-8-10-13(11-9-12)23-17-7-3-5-15-14-4-1-2-6-16(14)19-18(15)17/h1-11,19H
InChIKeyGFEDLPKCPMFPDO-UHFFFAOYSA-N
XLogP5.02
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-nitrophenoxy)-9H-carbazole 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

1-(4-methylphenoxy)-9H-carbazole
CID 141175510
2-(4-nitrophenoxy)cyclohepta-2,4,6-trien-1-one
CID 71333814
1,6-bis(4-nitrophenoxy)naphthalene
CID 54368809
2,4-dichloro-1-(4-nitrophenoxy)benzene;8-fluoro-9H-carbazol-4-ol
CID 67628373
2-(4-nitrophenoxy)benzoic acid
CID 139059188
(4-nitrophenyl) 9H-carbazole-4-carboxylate
CID 174494488
1-chloro-3-nitro-9H-carbazole
CID 155673987
1-[2-(4-nitrophenoxy)phenyl]ethanone
CID 7040232
[2-(4-nitrophenoxy)phenyl]phosphonic acid
CID 170987908
1-[1,1,1,3,3,3-hexafluoro-2-[2-(4-nitrophenoxy)phenyl]propan-2-yl]-2-(4-nitrophenoxy)benzene
CID 139816676
N-methyl-1-[2-(4-nitrophenoxy)phenyl]methanamine
CID 54915610
1-chloro-6-nitro-9H-carbazole
CID 163637234

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenoxy)-9H-carbazole?
The IUPAC name of 1-(4-nitrophenoxy)-9H-carbazole (CID 150278984) is 1-(4-nitrophenoxy)-9H-carbazole.
What is the SMILES notation for 1-(4-nitrophenoxy)-9H-carbazole?
The canonical SMILES for 1-(4-nitrophenoxy)-9H-carbazole is O=[N+]([O-])c1ccc(Oc2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 1-(4-nitrophenoxy)-9H-carbazole?
The InChIKey is GFEDLPKCPMFPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O3/c21-20(22)12-8-10-13(11-9-12)23-17-7-3-5-15-14-4-1-2-6-16(14)19-18(15)17/h1-11,19H.
What are the key properties of 1-(4-nitrophenoxy)-9H-carbazole?
1-(4-nitrophenoxy)-9H-carbazole has a molecular weight of 304.31 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenoxy)-9H-carbazole is sourced from PubChem (CID 150278984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).