10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine

C38H22N6O2 — CID 129089066

IUPAC10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Oc5ccccc54)nc3c2n1
InChIInChI=1S/C38H22N6O2/c1-5-13-29-25(9-1)43(26-10-2-6-14-30(26)45-29)33-19-17-23-35-36(40-22-21-39-35)24-18-20-34(42-38(24)37(23)41-33)44-27-11-3-7-15-31(27)46-32-16-8-4-12-28(32)44/h1-22H
InChIKeyWFSIWOTYVKKNDV-UHFFFAOYSA-N
MW594.63 g/mol
LogP9.88
Rot. Bonds2

About 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine

10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine (PubChem CID 129089066) has the molecular formula C38H22N6O2 and a molecular weight of 594.63 g/mol. Its IUPAC name is 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine.

Molecular Properties

Compound Name10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine
PubChem CID129089066
Molecular FormulaC38H22N6O2
Molecular Weight594.63 g/mol
Exact Mass594.18
IUPAC Name10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Oc5ccccc54)nc3c2n1
InChIInChI=1S/C38H22N6O2/c1-5-13-29-25(9-1)43(26-10-2-6-14-30(26)45-29)33-19-17-23-35-36(40-22-21-39-35)24-18-20-34(42-38(24)37(23)41-33)44-27-11-3-7-15-31(27)46-32-16-8-4-12-28(32)44/h1-22H
InChIKeyWFSIWOTYVKKNDV-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-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-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-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?
The IUPAC name of 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine (CID 129089066) is 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine.
What is the SMILES notation for 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?
The canonical SMILES for 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc2c3nccnc3c3ccc(N4c5ccccc5Oc5ccccc54)nc3c2n1.
What is the InChIKey of 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?
The InChIKey is WFSIWOTYVKKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N6O2/c1-5-13-29-25(9-1)43(26-10-2-6-14-30(26)45-29)33-19-17-23-35-36(40-22-21-39-35)24-18-20-34(42-38(24)37(23)41-33)44-27-11-3-7-15-31(27)46-32-16-8-4-12-28(32)44/h1-22H.
What are the key properties of 10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine?
10-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-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-(7-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthrolin-10-yl)phenoxazine is sourced from PubChem (CID 129089066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).