10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine

C36H22N4O2S — CID 129148052

IUPAC10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H22N4O2S/c1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)24-19-23(36-38-26-17-18-37-22-35(26)43-36)20-25(21-24)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40/h1-22H
InChIKeyIDMKSARULKKARI-UHFFFAOYSA-N
MW574.67 g/mol
LogP10.51
Rot. Bonds3

About 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine

10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 129148052) has the molecular formula C36H22N4O2S and a molecular weight of 574.67 g/mol. Its IUPAC name is 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine
PubChem CID129148052
Molecular FormulaC36H22N4O2S
Molecular Weight574.67 g/mol
Exact Mass574.15
IUPAC Name10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C36H22N4O2S/c1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)24-19-23(36-38-26-17-18-37-22-35(26)43-36)20-25(21-24)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40/h1-22H
InChIKeyIDMKSARULKKARI-UHFFFAOYSA-N
XLogP10.51
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.67
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine (CID 129148052) is 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3s2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is IDMKSARULKKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2S/c1-5-13-31-27(9-1)39(28-10-2-6-14-32(28)41-31)24-19-23(36-38-26-17-18-37-22-35(26)43-36)20-25(21-24)40-29-11-3-7-15-33(29)42-34-16-8-4-12-30(34)40/h1-22H.
What are the key properties of 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 574.67 g/mol, XLogP of 10.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-phenoxazin-10-yl-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).