phenazine

C12H8N2 — CID 4757

IUPACphenazine
SMILESc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKeyPCNDJXKNXGMECE-UHFFFAOYSA-N
MW180.21 g/mol
LogP2.78
Rot. Bonds

About phenazine

phenazine (PubChem CID 4757) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is phenazine.

Molecular Properties

Compound Namephenazine
PubChem CID4757
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Namephenazine
SMILESc1ccc2nc3ccccc3nc2c1
InChIInChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKeyPCNDJXKNXGMECE-UHFFFAOYSA-N
XLogP2.78
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Quinoxaline
CID 7045
2,3-Diaminophenazine
CID 410099
Phenazine Methosulfate
CID 9285
2,3-Dimethylquinoxaline
CID 16925
2,3-Dichloroquinoxaline
CID 16659
Phenosafranine
CID 65732
2-Methylquinoxaline
CID 23686
2,3-Dimethylquinoxalin-6-amine
CID 146053
Quinoxaline-2,3-diamine
CID 241488
1,2,3,4-Tetrahydrophenazine
CID 236273
Phenazine ethosulfate
CID 82688
1-Methylphenazine
CID 606676

Frequently Asked Questions

What is the IUPAC name of phenazine?
The IUPAC name of phenazine (CID 4757) is phenazine.
What is the SMILES notation for phenazine?
The canonical SMILES for phenazine is c1ccc2nc3ccccc3nc2c1.
What is the InChIKey of phenazine?
The InChIKey is PCNDJXKNXGMECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H.
What are the key properties of phenazine?
phenazine has a molecular weight of 180.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenazine is sourced from PubChem (CID 4757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).