10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine

C37H22N6O — CID 129089090

IUPAC10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine
SMILESc1ccc(-c2ccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7Oc7ccccc76)nc5c4n3)cc2)nc1
InChIInChI=1S/C37H22N6O/c1-3-10-31-29(8-1)43(30-9-2-4-11-32(30)44-31)33-19-17-26-35-34(39-21-22-40-35)25-16-18-28(41-36(25)37(26)42-33)24-14-12-23(13-15-24)27-7-5-6-20-38-27/h1-22H
InChIKeyALHHWKCYVRDREZ-UHFFFAOYSA-N
MW566.62 g/mol
LogP9.03
Rot. Bonds3

About 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine

10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine (PubChem CID 129089090) has the molecular formula C37H22N6O and a molecular weight of 566.62 g/mol. Its IUPAC name is 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine.

Molecular Properties

Compound Name10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine
PubChem CID129089090
Molecular FormulaC37H22N6O
Molecular Weight566.62 g/mol
Exact Mass566.19
IUPAC Name10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine
SMILESc1ccc(-c2ccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7Oc7ccccc76)nc5c4n3)cc2)nc1
InChIInChI=1S/C37H22N6O/c1-3-10-31-29(8-1)43(30-9-2-4-11-32(30)44-31)33-19-17-26-35-34(39-21-22-40-35)25-16-18-28(41-36(25)37(26)42-33)24-14-12-23(13-15-24)27-7-5-6-20-38-27/h1-22H
InChIKeyALHHWKCYVRDREZ-UHFFFAOYSA-N
XLogP9.03
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.62
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
The IUPAC name of 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine (CID 129089090) is 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine.
What is the SMILES notation for 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
The canonical SMILES for 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine is c1ccc(-c2ccc(-c3ccc4c5nccnc5c5ccc(N6c7ccccc7Oc7ccccc76)nc5c4n3)cc2)nc1.
What is the InChIKey of 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
The InChIKey is ALHHWKCYVRDREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H22N6O/c1-3-10-31-29(8-1)43(30-9-2-4-11-32(30)44-31)33-19-17-26-35-34(39-21-22-40-35)25-16-18-28(41-36(25)37(26)42-33)24-14-12-23(13-15-24)27-7-5-6-20-38-27/h1-22H.
What are the key properties of 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine?
10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine has a molecular weight of 566.62 g/mol, XLogP of 9.03, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[10-(4-pyridin-2-ylphenyl)pyrazino[2,3-f][1,10]phenanthrolin-7-yl]phenoxazine is sourced from PubChem (CID 129089090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).