10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine

C42H26N6O2 — CID 129037655

IUPAC10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3nccnc3nc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C42H26N6O2/c1-5-13-35-31(9-1)47(32-10-2-6-14-36(32)49-35)29-21-17-27(18-22-29)39-40(46-42-41(45-39)43-25-26-44-42)28-19-23-30(24-20-28)48-33-11-3-7-15-37(33)50-38-16-8-4-12-34(38)48/h1-26H
InChIKeyWXNZFZMLTIURGU-UHFFFAOYSA-N
MW646.71 g/mol
LogP10.90
Rot. Bonds4

About 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine

10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine (PubChem CID 129037655) has the molecular formula C42H26N6O2 and a molecular weight of 646.71 g/mol. Its IUPAC name is 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
PubChem CID129037655
Molecular FormulaC42H26N6O2
Molecular Weight646.71 g/mol
Exact Mass646.21
IUPAC Name10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3nccnc3nc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1
InChIInChI=1S/C42H26N6O2/c1-5-13-35-31(9-1)47(32-10-2-6-14-36(32)49-35)29-21-17-27(18-22-29)39-40(46-42-41(45-39)43-25-26-44-42)28-19-23-30(24-20-28)48-33-11-3-7-15-37(33)50-38-16-8-4-12-34(38)48/h1-26H
InChIKeyWXNZFZMLTIURGU-UHFFFAOYSA-N
XLogP10.90
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.71
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

10-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528356
10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528381
10-[4-(2,3-diphenylimidazo[1,2-a]pyrimidin-6-yl)phenyl]phenoxazine
CID 159063020
10-[4-[6,7-dimethyl-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine;10-[4-[6-methyl-3-(4-phenoxazin-10-ylphenyl)quinoxalin-2-yl]phenyl]phenoxazine;10-[4-[3-(4-phenoxazin-10-ylphenyl)benzo[g]quinoxalin-2-yl]phenyl]phenoxazine
CID 159697733
2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
2,6-bis(4-phenoxazin-10-ylphenyl)pyridine-4-carbonitrile
CID 155034855
10-(4-fluorophenyl)phenoxazine
CID 141389969
ethane;10-phenylphenoxazine
CID 123756019
10-[3,5-di(pyrimidin-2-yl)phenyl]phenoxazine
CID 58251203
10-[4-(1,3,4-oxadiazol-2-yl)phenyl]phenoxazine
CID 152549860

Frequently Asked Questions

What is the IUPAC name of 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine (CID 129037655) is 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3nccnc3nc2-c2ccc(N3c4ccccc4Oc4ccccc43)cc2)cc1.
What is the InChIKey of 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine?
The InChIKey is WXNZFZMLTIURGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26N6O2/c1-5-13-35-31(9-1)47(32-10-2-6-14-36(32)49-35)29-21-17-27(18-22-29)39-40(46-42-41(45-39)43-25-26-44-42)28-19-23-30(24-20-28)48-33-11-3-7-15-37(33)50-38-16-8-4-12-34(38)48/h1-26H.
What are the key properties of 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine?
10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine has a molecular weight of 646.71 g/mol, XLogP of 10.90, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[3-(4-phenoxazin-10-ylphenyl)pyrazino[2,3-b]pyrazin-2-yl]phenyl]phenoxazine is sourced from PubChem (CID 129037655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).