10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine

C46H29N9O — CID 58251172

IUPAC10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)c1
InChIInChI=1S/C46H29N9O/c1-3-7-45-43(5-1)55(44-6-2-4-8-46(44)56-45)38-24-32(30-18-34(39-26-47-9-13-51-39)22-35(19-30)40-27-48-10-14-52-40)17-33(25-38)31-20-36(41-28-49-11-15-53-41)23-37(21-31)42-29-50-12-16-54-42/h1-29H
InChIKeyVVYZRHLYTSGPTB-UHFFFAOYSA-N
MW723.80 g/mol
LogP10.42
Rot. Bonds7

About 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine

10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine (PubChem CID 58251172) has the molecular formula C46H29N9O and a molecular weight of 723.80 g/mol. Its IUPAC name is 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine
PubChem CID58251172
Molecular FormulaC46H29N9O
Molecular Weight723.80 g/mol
Exact Mass723.25
IUPAC Name10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)c1
InChIInChI=1S/C46H29N9O/c1-3-7-45-43(5-1)55(44-6-2-4-8-46(44)56-45)38-24-32(30-18-34(39-26-47-9-13-51-39)22-35(19-30)40-27-48-10-14-52-40)17-33(25-38)31-20-36(41-28-49-11-15-53-41)23-37(21-31)42-29-50-12-16-54-42/h1-29H
InChIKeyVVYZRHLYTSGPTB-UHFFFAOYSA-N
XLogP10.42
TPSA115.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500723.80
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]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-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine (CID 58251172) is 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)cc(-c2cc(-c3cnccn3)cc(-c3cnccn3)c2)c1.
What is the InChIKey of 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine?
The InChIKey is VVYZRHLYTSGPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N9O/c1-3-7-45-43(5-1)55(44-6-2-4-8-46(44)56-45)38-24-32(30-18-34(39-26-47-9-13-51-39)22-35(19-30)40-27-48-10-14-52-40)17-33(25-38)31-20-36(41-28-49-11-15-53-41)23-37(21-31)42-29-50-12-16-54-42/h1-29H.
What are the key properties of 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine?
10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine has a molecular weight of 723.80 g/mol, XLogP of 10.42, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,5-bis[3,5-di(pyrazin-2-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 58251172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).