bis((Z)-but-2-enedioic acid);phenazine

C20H16N2O8 — CID 139195557

IUPACbis((Z)-but-2-enedioic acid);phenazine
SMILESO=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.2C4H4O4/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*5-3(6)1-2-4(7)8/h1-8H;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKeyNVADIKJWUIXZFA-SPIKMXEPSA-N
MW412.35 g/mol
LogP2.21
Rot. Bonds4

About bis((Z)-but-2-enedioic acid);phenazine

bis((Z)-but-2-enedioic acid);phenazine (PubChem CID 139195557) has the molecular formula C20H16N2O8 and a molecular weight of 412.35 g/mol. Its IUPAC name is bis((Z)-but-2-enedioic acid);phenazine.

Molecular Properties

Compound Namebis((Z)-but-2-enedioic acid);phenazine
PubChem CID139195557
Molecular FormulaC20H16N2O8
Molecular Weight412.35 g/mol
Exact Mass412.09
IUPAC Namebis((Z)-but-2-enedioic acid);phenazine
SMILESO=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2.2C4H4O4/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*5-3(6)1-2-4(7)8/h1-8H;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKeyNVADIKJWUIXZFA-SPIKMXEPSA-N
XLogP2.21
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.35
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze bis((Z)-but-2-enedioic acid);phenazine 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

3-Quinoxalin-2-yl-acrylic acid
CID 1549954
methyl (E)-3-[3-[(E)-3-methoxy-3-oxoprop-1-enyl]quinoxalin-2-yl]prop-2-enoate
CID 134999348
Phenazine decanoate
CID 129717550
Phenazine succinic acid
CID 139195559
Phenazine fumaric acid
CID 20446339
2,5-Difluoro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione;phenazine
CID 139194385
2,5-Dihydroxy-3,6-diiodocyclohexa-2,5-diene-1,4-dione;phenazine
CID 139194386
Phenazine mesaconic acid
CID 139195556
Phenazine bis (citraconic acid)
CID 139195558
Phenazine bis(glutaric acid)
CID 139195560
(E)-2-methylbut-2-enedioic acid;phenazine;hydrate
CID 139196710
Phenazine;bis(prop-2-ynoic acid)
CID 168352674

Frequently Asked Questions

What is the IUPAC name of bis((Z)-but-2-enedioic acid);phenazine?
The IUPAC name of bis((Z)-but-2-enedioic acid);phenazine (CID 139195557) is bis((Z)-but-2-enedioic acid);phenazine.
What is the SMILES notation for bis((Z)-but-2-enedioic acid);phenazine?
The canonical SMILES for bis((Z)-but-2-enedioic acid);phenazine is O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O.c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of bis((Z)-but-2-enedioic acid);phenazine?
The InChIKey is NVADIKJWUIXZFA-SPIKMXEPSA-N. The full InChI is InChI=1S/C12H8N2.2C4H4O4/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;2*5-3(6)1-2-4(7)8/h1-8H;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-.
What are the key properties of bis((Z)-but-2-enedioic acid);phenazine?
bis((Z)-but-2-enedioic acid);phenazine has a molecular weight of 412.35 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis((Z)-but-2-enedioic acid);phenazine is sourced from PubChem (CID 139195557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).