10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine

C38H22N6O2 — CID 129073049

IUPAC10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12
InChIInChI=1S/C38H22N6O2/c1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44/h1-22H
InChIKeyGZQFLEVSBXVRRJ-UHFFFAOYSA-N
MW594.63 g/mol
LogP9.88
Rot. Bonds2

About 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine

10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine (PubChem CID 129073049) has the molecular formula C38H22N6O2 and a molecular weight of 594.63 g/mol. Its IUPAC name is 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine.

Molecular Properties

Compound Name10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
PubChem CID129073049
Molecular FormulaC38H22N6O2
Molecular Weight594.63 g/mol
Exact Mass594.18
IUPAC Name10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12
InChIInChI=1S/C38H22N6O2/c1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44/h1-22H
InChIKeyGZQFLEVSBXVRRJ-UHFFFAOYSA-N
XLogP9.88
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.63
LogP ≤ 59.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine?
The IUPAC name of 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine (CID 129073049) is 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine.
What is the SMILES notation for 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine?
The canonical SMILES for 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cnc2c(c1)c1nccnc1c1cc(N3c4ccccc4Oc4ccccc43)cnc12.
What is the InChIKey of 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine?
The InChIKey is GZQFLEVSBXVRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N6O2/c1-5-13-31-27(9-1)43(28-10-2-6-14-32(28)45-31)23-19-25-35-36(40-18-17-39-35)26-20-24(22-42-38(26)37(25)41-21-23)44-29-11-3-7-15-33(29)46-34-16-8-4-12-30(34)44/h1-22H.
What are the key properties of 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine?
10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine has a molecular weight of 594.63 g/mol, XLogP of 9.88, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-11-yl)phenoxazine is sourced from PubChem (CID 129073049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).