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

C38H24N4OS — CID 118532609

IUPAC10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3n2-c2ccccc2)cc1
InChIInChI=1S/C38H24N4OS/c1-3-11-25(12-4-1)37-39-29-24-36-30(23-33(29)42(37)27-13-5-2-6-14-27)40-38(44-36)26-19-21-28(22-20-26)41-31-15-7-9-17-34(31)43-35-18-10-8-16-32(35)41/h1-24H
InChIKeyVGGLPQGWNXQJFC-UHFFFAOYSA-N
MW584.70 g/mol
LogP10.54
Rot. Bonds4

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

10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine (PubChem CID 118532609) has the molecular formula C38H24N4OS and a molecular weight of 584.70 g/mol. Its IUPAC name is 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
PubChem CID118532609
Molecular FormulaC38H24N4OS
Molecular Weight584.70 g/mol
Exact Mass584.17
IUPAC Name10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine
SMILESc1ccc(-c2nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3n2-c2ccccc2)cc1
InChIInChI=1S/C38H24N4OS/c1-3-11-25(12-4-1)37-39-29-24-36-30(23-33(29)42(37)27-13-5-2-6-14-27)40-38(44-36)26-19-21-28(22-20-26)41-31-15-7-9-17-34(31)43-35-18-10-8-16-32(35)41/h1-24H
InChIKeyVGGLPQGWNXQJFC-UHFFFAOYSA-N
XLogP10.54
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.70
LogP ≤ 510.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine (CID 118532609) is 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine is c1ccc(-c2nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc3n2-c2ccccc2)cc1.
What is the InChIKey of 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
The InChIKey is VGGLPQGWNXQJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24N4OS/c1-3-11-25(12-4-1)37-39-29-24-36-30(23-33(29)42(37)27-13-5-2-6-14-27)40-38(44-36)26-19-21-28(22-20-26)41-31-15-7-9-17-34(31)43-35-18-10-8-16-32(35)41/h1-24H.
What are the key properties of 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine?
10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine has a molecular weight of 584.70 g/mol, XLogP of 10.54, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(5,6-diphenylimidazo[4,5-f][1,3]benzothiazol-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 118532609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).