10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine

C37H23N3O2S — CID 129148045

IUPAC10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C37H23N3O2S/c1-10-20-36-27(11-1)38-37(43-36)24-21-25(39-28-12-2-6-16-32(28)41-33-17-7-3-13-29(33)39)23-26(22-24)40-30-14-4-8-18-34(30)42-35-19-9-5-15-31(35)40/h1-23H
InChIKeyJBLIVVGUYQPMSJ-UHFFFAOYSA-N
MW573.68 g/mol
LogP11.11
Rot. Bonds3

About 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine

10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (PubChem CID 129148045) has the molecular formula C37H23N3O2S and a molecular weight of 573.68 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
PubChem CID129148045
Molecular FormulaC37H23N3O2S
Molecular Weight573.68 g/mol
Exact Mass573.15
IUPAC Name10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1
InChIInChI=1S/C37H23N3O2S/c1-10-20-36-27(11-1)38-37(43-36)24-21-25(39-28-12-2-6-16-32(28)41-33-17-7-3-13-29(33)39)23-26(22-24)40-30-14-4-8-18-34(30)42-35-19-9-5-15-31(35)40/h1-23H
InChIKeyJBLIVVGUYQPMSJ-UHFFFAOYSA-N
XLogP11.11
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.68
LogP ≤ 511.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine (CID 129148045) is 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc(N2c3ccccc3Oc3ccccc32)c1.
What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
The InChIKey is JBLIVVGUYQPMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23N3O2S/c1-10-20-36-27(11-1)38-37(43-36)24-21-25(39-28-12-2-6-16-32(28)41-33-17-7-3-13-29(33)39)23-26(22-24)40-30-14-4-8-18-34(30)42-35-19-9-5-15-31(35)40/h1-23H.
What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine?
10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine has a molecular weight of 573.68 g/mol, XLogP of 11.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-benzothiazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine is sourced from PubChem (CID 129148045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).