10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine

C32H19N3OS2 — CID 129148034

IUPAC10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C32H19N3OS2/c1-7-15-29-23(9-1)33-31(37-29)20-17-21(32-34-24-10-2-8-16-30(24)38-32)19-22(18-20)35-25-11-3-5-13-27(25)36-28-14-6-4-12-26(28)35/h1-19H
InChIKeyVJAANIAAWYNCOB-UHFFFAOYSA-N
MW525.66 g/mol
LogP9.82
Rot. Bonds3

About 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine

10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine (PubChem CID 129148034) has the molecular formula C32H19N3OS2 and a molecular weight of 525.66 g/mol. Its IUPAC name is 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine
PubChem CID129148034
Molecular FormulaC32H19N3OS2
Molecular Weight525.66 g/mol
Exact Mass525.10
IUPAC Name10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1
InChIInChI=1S/C32H19N3OS2/c1-7-15-29-23(9-1)33-31(37-29)20-17-21(32-34-24-10-2-8-16-30(24)38-32)19-22(18-20)35-25-11-3-5-13-27(25)36-28-14-6-4-12-26(28)35/h1-19H
InChIKeyVJAANIAAWYNCOB-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-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine (CID 129148034) is 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3s2)cc(-c2nc3ccccc3s2)c1.
What is the InChIKey of 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
The InChIKey is VJAANIAAWYNCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H19N3OS2/c1-7-15-29-23(9-1)33-31(37-29)20-17-21(32-34-24-10-2-8-16-30(24)38-32)19-22(18-20)35-25-11-3-5-13-27(25)36-28-14-6-4-12-26(28)35/h1-19H.
What are the key properties of 10-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine?
10-[3,5-bis(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-[3,5-bis(1,3-benzothiazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 129148034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).