10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine

C38H23N5O — CID 129089107

IUPAC10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine
SMILESc1ccc(-c2cccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7Oc7ccccc76)nc5c4n3)c2)cc1
InChIInChI=1S/C38H23N5O/c1-2-9-24(10-3-1)25-11-8-12-26(23-25)29-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-29)43-30-13-4-6-15-32(30)44-33-16-7-5-14-31(33)43/h1-23H
InChIKeyXJOHOZFOLWOFFS-UHFFFAOYSA-N
MW565.64 g/mol
LogP9.64
Rot. Bonds3

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

10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine (PubChem CID 129089107) has the molecular formula C38H23N5O and a molecular weight of 565.64 g/mol. Its IUPAC name is 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine.

Molecular Properties

Compound Name10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine
PubChem CID129089107
Molecular FormulaC38H23N5O
Molecular Weight565.64 g/mol
Exact Mass565.19
IUPAC Name10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine
SMILESc1ccc(-c2cccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7Oc7ccccc76)nc5c4n3)c2)cc1
InChIInChI=1S/C38H23N5O/c1-2-9-24(10-3-1)25-11-8-12-26(23-25)29-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-29)43-30-13-4-6-15-32(30)44-33-16-7-5-14-31(33)43/h1-23H
InChIKeyXJOHOZFOLWOFFS-UHFFFAOYSA-N
XLogP9.64
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.64
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
The IUPAC name of 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine (CID 129089107) is 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine.
What is the SMILES notation for 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
The canonical SMILES for 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine is c1ccc(-c2cccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7Oc7ccccc76)nc5c4n3)c2)cc1.
What is the InChIKey of 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
The InChIKey is XJOHOZFOLWOFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23N5O/c1-2-9-24(10-3-1)25-11-8-12-26(23-25)29-19-17-27-35-36(40-22-21-39-35)28-18-20-34(42-38(28)37(27)41-29)43-30-13-4-6-15-32(30)44-33-16-7-5-14-31(33)43/h1-23H.
What are the key properties of 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine has a molecular weight of 565.64 g/mol, XLogP of 9.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(3-phenylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine is sourced from PubChem (CID 129089107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).