2,3,7,8-tetrakis(phenoxymethyl)phenazine

C40H32N2O4 — CID 15048480

IUPAC2,3,7,8-tetrakis(phenoxymethyl)phenazine
SMILESc1ccc(OCc2cc3nc4cc(COc5ccccc5)c(COc5ccccc5)cc4nc3cc2COc2ccccc2)cc1
InChIInChI=1S/C40H32N2O4/c1-5-13-33(14-6-1)43-25-29-21-37-38(22-30(29)26-44-34-15-7-2-8-16-34)42-40-24-32(28-46-36-19-11-4-12-20-36)31(23-39(40)41-37)27-45-35-17-9-3-10-18-35/h1-24H,25-28H2
InChIKeyWRSQYJRHSABALW-UHFFFAOYSA-N
MW604.71 g/mol
LogP9.10
Rot. Bonds12

About 2,3,7,8-tetrakis(phenoxymethyl)phenazine

2,3,7,8-tetrakis(phenoxymethyl)phenazine (PubChem CID 15048480) has the molecular formula C40H32N2O4 and a molecular weight of 604.71 g/mol. Its IUPAC name is 2,3,7,8-tetrakis(phenoxymethyl)phenazine.

Molecular Properties

Compound Name2,3,7,8-tetrakis(phenoxymethyl)phenazine
PubChem CID15048480
Molecular FormulaC40H32N2O4
Molecular Weight604.71 g/mol
Exact Mass604.24
IUPAC Name2,3,7,8-tetrakis(phenoxymethyl)phenazine
SMILESc1ccc(OCc2cc3nc4cc(COc5ccccc5)c(COc5ccccc5)cc4nc3cc2COc2ccccc2)cc1
InChIInChI=1S/C40H32N2O4/c1-5-13-33(14-6-1)43-25-29-21-37-38(22-30(29)26-44-34-15-7-2-8-16-34)42-40-24-32(28-46-36-19-11-4-12-20-36)31(23-39(40)41-37)27-45-35-17-9-3-10-18-35/h1-24H,25-28H2
InChIKeyWRSQYJRHSABALW-UHFFFAOYSA-N
XLogP9.10
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.71
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(phenoxymethyl)naphthalene
CID 588110
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CID 22172419
1-(phenoxymethyl)anthracene
CID 18517350
9-(phenoxymethyl)phenanthrene
CID 10265899
2,6-diethyl-4-(phenoxymethyl)pyridine
CID 91150139
4-chloro-2-(phenoxymethyl)quinoline
CID 134835185
2-[2-(phenoxymethyl)phenyl]ethanamine
CID 113314861
4-ethenyl-2-(phenoxymethyl)-1,3-thiazole
CID 141070913
6-chloro-2-(4-methylphenyl)-4-(phenoxymethyl)quinoline
CID 101176210
1-bromo-4-phenoxy-2-(phenoxymethyl)benzene
CID 139707476
1-(2-methylpropyl)-2-(phenoxymethyl)benzene
CID 173253706
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915

Frequently Asked Questions

What is the IUPAC name of 2,3,7,8-tetrakis(phenoxymethyl)phenazine?
The IUPAC name of 2,3,7,8-tetrakis(phenoxymethyl)phenazine (CID 15048480) is 2,3,7,8-tetrakis(phenoxymethyl)phenazine.
What is the SMILES notation for 2,3,7,8-tetrakis(phenoxymethyl)phenazine?
The canonical SMILES for 2,3,7,8-tetrakis(phenoxymethyl)phenazine is c1ccc(OCc2cc3nc4cc(COc5ccccc5)c(COc5ccccc5)cc4nc3cc2COc2ccccc2)cc1.
What is the InChIKey of 2,3,7,8-tetrakis(phenoxymethyl)phenazine?
The InChIKey is WRSQYJRHSABALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2O4/c1-5-13-33(14-6-1)43-25-29-21-37-38(22-30(29)26-44-34-15-7-2-8-16-34)42-40-24-32(28-46-36-19-11-4-12-20-36)31(23-39(40)41-37)27-45-35-17-9-3-10-18-35/h1-24H,25-28H2.
What are the key properties of 2,3,7,8-tetrakis(phenoxymethyl)phenazine?
2,3,7,8-tetrakis(phenoxymethyl)phenazine has a molecular weight of 604.71 g/mol, XLogP of 9.10, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,8-tetrakis(phenoxymethyl)phenazine is sourced from PubChem (CID 15048480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).