(4-nitrophenyl) 9H-carbazole-4-carboxylate

C19H12N2O4 — CID 174494488

IUPAC(4-nitrophenyl) 9H-carbazole-4-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C19H12N2O4/c22-19(25-13-10-8-12(9-11-13)21(23)24)15-5-3-7-17-18(15)14-4-1-2-6-16(14)20-17/h1-11,20H
InChIKeyFCLHVQPQOVLJBI-UHFFFAOYSA-N
MW332.32 g/mol
LogP4.45
Rot. Bonds3

About (4-nitrophenyl) 9H-carbazole-4-carboxylate

(4-nitrophenyl) 9H-carbazole-4-carboxylate (PubChem CID 174494488) has the molecular formula C19H12N2O4 and a molecular weight of 332.32 g/mol. Its IUPAC name is (4-nitrophenyl) 9H-carbazole-4-carboxylate.

Molecular Properties

Compound Name(4-nitrophenyl) 9H-carbazole-4-carboxylate
PubChem CID174494488
Molecular FormulaC19H12N2O4
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name(4-nitrophenyl) 9H-carbazole-4-carboxylate
SMILESO=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c3ccccc3c12
InChIInChI=1S/C19H12N2O4/c22-19(25-13-10-8-12(9-11-13)21(23)24)15-5-3-7-17-18(15)14-4-1-2-6-16(14)20-17/h1-11,20H
InChIKeyFCLHVQPQOVLJBI-UHFFFAOYSA-N
XLogP4.45
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 174914751
(4-nitrophenyl) 2-bromobenzoate
CID 532492
(4-nitrophenyl) 1H-indole-2-carboxylate
CID 19897924
1-(4-nitrophenoxy)-9H-carbazole
CID 150278984
(4-nitrophenyl) 10-methylacridin-10-ium-9-carboxylate
CID 15869224
(4-benzoylphenyl) 4-nitrobenzoate
CID 2678928
(4-nitrophenyl) 4-phenylbenzoate
CID 788881
(4-nitrophenyl) 2-(2,2-dicyanoethenylamino)benzoate
CID 168541495
[3-(4-nitrophenoxy)phenyl]methyl 2-oxo-1H-quinoline-4-carboxylate
CID 126183872
guanidine;(4-nitrophenyl) benzoate
CID 68771606
1H-indol-4-yl (4-nitrophenyl) carbonate
CID 154000024
(4-nitrophenyl) 9-[(4-fluorophenyl)methyl]-1-methoxycarbazole-4-carboxylate
CID 69282263

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) 9H-carbazole-4-carboxylate?
The IUPAC name of (4-nitrophenyl) 9H-carbazole-4-carboxylate (CID 174494488) is (4-nitrophenyl) 9H-carbazole-4-carboxylate.
What is the SMILES notation for (4-nitrophenyl) 9H-carbazole-4-carboxylate?
The canonical SMILES for (4-nitrophenyl) 9H-carbazole-4-carboxylate is O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c3ccccc3c12.
What is the InChIKey of (4-nitrophenyl) 9H-carbazole-4-carboxylate?
The InChIKey is FCLHVQPQOVLJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O4/c22-19(25-13-10-8-12(9-11-13)21(23)24)15-5-3-7-17-18(15)14-4-1-2-6-16(14)20-17/h1-11,20H.
What are the key properties of (4-nitrophenyl) 9H-carbazole-4-carboxylate?
(4-nitrophenyl) 9H-carbazole-4-carboxylate has a molecular weight of 332.32 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) 9H-carbazole-4-carboxylate is sourced from PubChem (CID 174494488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).