10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine

C32H19N3OS2 — CID 118532558

IUPAC10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3s2)cc1
InChIInChI=1S/C32H19N3OS2/c1-2-8-20(9-3-1)31-33-23-18-30-24(19-29(23)37-31)34-32(38-30)21-14-16-22(17-15-21)35-25-10-4-6-12-27(25)36-28-13-7-5-11-26(28)35/h1-19H
InChIKeyDZBQQLGHBDOVQY-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.82
Rot. Bonds3

About 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine

10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine (PubChem CID 118532558) has the molecular formula C32H19N3OS2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
PubChem CID118532558
Molecular FormulaC32H19N3OS2
Molecular Weight525.66 g/mol
Exact Mass525.10
IUPAC Name10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3s2)cc1
InChIInChI=1S/C32H19N3OS2/c1-2-8-20(9-3-1)31-33-23-18-30-24(19-29(23)37-31)34-32(38-30)21-14-16-22(17-15-21)35-25-10-4-6-12-27(25)36-28-13-7-5-11-26(28)35/h1-19H
InChIKeyDZBQQLGHBDOVQY-UHFFFAOYSA-N
XLogP9.82
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.66
LogP ≤ 59.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine (CID 118532558) is 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine is c1ccc(-c2nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3s2)cc1.
What is the InChIKey of 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
The InChIKey is DZBQQLGHBDOVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3OS2/c1-2-8-20(9-3-1)31-33-23-18-30-24(19-29(23)37-31)34-32(38-30)21-14-16-22(17-15-21)35-25-10-4-6-12-27(25)36-28-13-7-5-11-26(28)35/h1-19H.
What are the key properties of 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine has a molecular weight of 525.66 g/mol, XLogP of 9.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118532558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).