methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate

C20H14N2O4 — CID 102111455

IUPACmethyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c([N+](=O)[O-])cc2[nH]c3ccccc3c12
InChIInChI=1S/C20H14N2O4/c1-26-20(23)19-17(12-7-3-2-4-8-12)16(22(24)25)11-15-18(19)13-9-5-6-10-14(13)21-15/h2-11,21H,1H3
InChIKeyVGZMZKORWCQONU-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.68
Rot. Bonds3

About methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate

methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate (PubChem CID 102111455) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate
PubChem CID102111455
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Namemethyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c([N+](=O)[O-])cc2[nH]c3ccccc3c12
InChIInChI=1S/C20H14N2O4/c1-26-20(23)19-17(12-7-3-2-4-8-12)16(22(24)25)11-15-18(19)13-9-5-6-10-14(13)21-15/h2-11,21H,1H3
InChIKeyVGZMZKORWCQONU-UHFFFAOYSA-N
XLogP4.68
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.68
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'}

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Related Compounds

methyl 3-nitro-5,6,7,8-tetraphenylnaphthalene-2-carboxylate
CID 135024818
4-chloro-2-nitro-1-phenyl-9H-carbazole
CID 150980162
methyl 3-nitro-5,7,12,14-tetraphenylpentacene-2-carboxylate
CID 135025171
methyl 3-methyl-4-phenyl-5H-pyrido[4,3-b]indole-1-carboxylate
CID 13351963
methyl 2-butyl-3-hydroxy-9H-carbazole-4-carboxylate
CID 132510693
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
dimethyl 4-methyl-9H-carbazole-1,3-dicarboxylate
CID 132503759
ethyl 6-nitro-2-oxo-4-phenyl-1H-quinoline-3-carboxylate
CID 766186
methyl 3,5-diphenyl-1H-indole-2-carboxylate
CID 135386958
trimethyl 6-(4-nitrophenyl)-3-phenylbenzene-1,2,4-tricarboxylate
CID 102205935
methyl [2-(4-nitrophenyl)-3-phenyl-1H-indol-5-yl] carbonate
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methyl 2-methylsulfanyl-1H-indole-3-carboxylate
CID 11481434

Frequently Asked Questions

What is the IUPAC name of methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate?
The IUPAC name of methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate (CID 102111455) is methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate.
What is the SMILES notation for methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate?
The canonical SMILES for methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)c([N+](=O)[O-])cc2[nH]c3ccccc3c12.
What is the InChIKey of methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate?
The InChIKey is VGZMZKORWCQONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-26-20(23)19-17(12-7-3-2-4-8-12)16(22(24)25)11-15-18(19)13-9-5-6-10-14(13)21-15/h2-11,21H,1H3.
What are the key properties of methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate?
methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate has a molecular weight of 346.34 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-nitro-3-phenyl-9H-carbazole-4-carboxylate is sourced from PubChem (CID 102111455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).