benzo[b]phenazine-6,11-dicarboxylic acid

C18H10N2O4 — CID 154692279

IUPACbenzo[b]phenazine-6,11-dicarboxylic acid
SMILESO=C(O)c1c2ccccc2c(C(=O)O)c2nc3ccccc3nc12
InChIInChI=1S/C18H10N2O4/c21-17(22)13-9-5-1-2-6-10(9)14(18(23)24)16-15(13)19-11-7-3-4-8-12(11)20-16/h1-8H,(H,21,22)(H,23,24)
InChIKeyFTLLTUQUEXTLDW-UHFFFAOYSA-N
MW318.29 g/mol
LogP3.33
Rot. Bonds2

About benzo[b]phenazine-6,11-dicarboxylic acid

benzo[b]phenazine-6,11-dicarboxylic acid (PubChem CID 154692279) has the molecular formula C18H10N2O4 and a molecular weight of 318.29 g/mol. Its IUPAC name is benzo[b]phenazine-6,11-dicarboxylic acid.

Molecular Properties

Compound Namebenzo[b]phenazine-6,11-dicarboxylic acid
PubChem CID154692279
Molecular FormulaC18H10N2O4
Molecular Weight318.29 g/mol
Exact Mass318.06
IUPAC Namebenzo[b]phenazine-6,11-dicarboxylic acid
SMILESO=C(O)c1c2ccccc2c(C(=O)O)c2nc3ccccc3nc12
InChIInChI=1S/C18H10N2O4/c21-17(22)13-9-5-1-2-6-10(9)14(18(23)24)16-15(13)19-11-7-3-4-8-12(11)20-16/h1-8H,(H,21,22)(H,23,24)
InChIKeyFTLLTUQUEXTLDW-UHFFFAOYSA-N
XLogP3.33
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-oxobenzo[c][1]benzazepine-11-carboxylic acid
CID 154239718
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
tetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8,11,13,15-octaene-8,9-dicarboxylic acid
CID 67709035
2,3-dihydroxyphenazine-1-carboxylic acid
CID 135697364
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
2,4-difluoroquinoline-3-carboxylic acid;hydrochloride
CID 141031168
4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447
4-phenylquinoline-2,3-dicarboxylic acid
CID 23469806
3-bromo-2-chloroquinoline-4-carboxylic acid
CID 97180491
benzo[a]acridine-12-carboxylic acid
CID 54569893
10-(10-carboxyphenanthrene-9-carbonyl)oxycarbonylphenanthrene-9-carboxylic acid
CID 87985720
4-methylquinazoline-2-carboxylic acid
CID 84770673

Frequently Asked Questions

What is the IUPAC name of benzo[b]phenazine-6,11-dicarboxylic acid?
The IUPAC name of benzo[b]phenazine-6,11-dicarboxylic acid (CID 154692279) is benzo[b]phenazine-6,11-dicarboxylic acid.
What is the SMILES notation for benzo[b]phenazine-6,11-dicarboxylic acid?
The canonical SMILES for benzo[b]phenazine-6,11-dicarboxylic acid is O=C(O)c1c2ccccc2c(C(=O)O)c2nc3ccccc3nc12.
What is the InChIKey of benzo[b]phenazine-6,11-dicarboxylic acid?
The InChIKey is FTLLTUQUEXTLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10N2O4/c21-17(22)13-9-5-1-2-6-10(9)14(18(23)24)16-15(13)19-11-7-3-4-8-12(11)20-16/h1-8H,(H,21,22)(H,23,24).
What are the key properties of benzo[b]phenazine-6,11-dicarboxylic acid?
benzo[b]phenazine-6,11-dicarboxylic acid has a molecular weight of 318.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]phenazine-6,11-dicarboxylic acid is sourced from PubChem (CID 154692279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).