(2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate

C23H12Br2N2O2 — CID 118201244

IUPAC(2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate
SMILESO=C(Oc1c(Br)cc(Br)c2nc3ccccc3nc12)c1ccc2ccccc2c1
InChIInChI=1S/C23H12Br2N2O2/c24-16-12-17(25)22(21-20(16)26-18-7-3-4-8-19(18)27-21)29-23(28)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyUOOGJCAWSNUPEC-UHFFFAOYSA-N
MW508.17 g/mol
LogP6.68
Rot. Bonds2

About (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate

(2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate (PubChem CID 118201244) has the molecular formula C23H12Br2N2O2 and a molecular weight of 508.17 g/mol. Its IUPAC name is (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate.

Molecular Properties

Compound Name(2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate
PubChem CID118201244
Molecular FormulaC23H12Br2N2O2
Molecular Weight508.17 g/mol
Exact Mass505.93
IUPAC Name(2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate
SMILESO=C(Oc1c(Br)cc(Br)c2nc3ccccc3nc12)c1ccc2ccccc2c1
InChIInChI=1S/C23H12Br2N2O2/c24-16-12-17(25)22(21-20(16)26-18-7-3-4-8-19(18)27-21)29-23(28)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H
InChIKeyUOOGJCAWSNUPEC-UHFFFAOYSA-N
XLogP6.68
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.17
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2,4-dibromophenazin-1-yl) benzoate
CID 118196898
(2,4-dibromophenazin-1-yl) N,N-dimethylcarbamate
CID 118201271
(2,4-dibromophenazin-1-yl) 2,2,2-trichloroacetate
CID 118201301
(2,4-dibromophenazin-1-yl) butanoate
CID 118201299
(2,3-dibromophenazin-1-yl) benzoate
CID 118197066
(3,4,5-trifluorophenyl) naphthalene-2-carboxylate
CID 151781841
(3-aminophenyl) naphthalene-2-carboxylate
CID 22761549
anthracen-1-yl naphthalene-2-carboxylate
CID 151830595
(3,4-dichlorophenyl) naphthalene-2-carboxylate
CID 7959552
(5,7-dichloro-2-methylquinolin-8-yl) naphthalene-2-carboxylate
CID 4530817
(2,4,6-tribromophenyl) benzoate
CID 13070430
(2,4-dimethylphenazin-1-yl) 1,3-benzodioxole-5-carboxylate
CID 123192443

Frequently Asked Questions

What is the IUPAC name of (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate?
The IUPAC name of (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate (CID 118201244) is (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate.
What is the SMILES notation for (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate?
The canonical SMILES for (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate is O=C(Oc1c(Br)cc(Br)c2nc3ccccc3nc12)c1ccc2ccccc2c1.
What is the InChIKey of (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate?
The InChIKey is UOOGJCAWSNUPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H12Br2N2O2/c24-16-12-17(25)22(21-20(16)26-18-7-3-4-8-19(18)27-21)29-23(28)15-10-9-13-5-1-2-6-14(13)11-15/h1-12H.
What are the key properties of (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate?
(2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate has a molecular weight of 508.17 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dibromophenazin-1-yl) naphthalene-2-carboxylate is sourced from PubChem (CID 118201244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).