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

C50H31N5O2S — CID 118532581

IUPAC10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc32)cc1
InChIInChI=1S/C50H31N5O2S/c1-2-12-34(13-3-1)55-43-30-38-48(58-50(52-38)33-24-28-36(29-25-33)54-41-16-6-10-20-46(41)57-47-21-11-7-17-42(47)54)31-37(43)51-49(55)32-22-26-35(27-23-32)53-39-14-4-8-18-44(39)56-45-19-9-5-15-40(45)53/h1-31H
InChIKeyKETOFMIFQFWKIQ-UHFFFAOYSA-N
MW765.90 g/mol
LogP14.12
Rot. Bonds5

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

10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine (PubChem CID 118532581) has the molecular formula C50H31N5O2S and a molecular weight of 765.90 g/mol. Its IUPAC name is 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine
PubChem CID118532581
Molecular FormulaC50H31N5O2S
Molecular Weight765.90 g/mol
Exact Mass765.22
IUPAC Name10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc32)cc1
InChIInChI=1S/C50H31N5O2S/c1-2-12-34(13-3-1)55-43-30-38-48(58-50(52-38)33-24-28-36(29-25-33)54-41-16-6-10-20-46(41)57-47-21-11-7-17-42(47)54)31-37(43)51-49(55)32-22-26-35(27-23-32)53-39-14-4-8-18-44(39)56-45-19-9-5-15-40(45)53/h1-31H
InChIKeyKETOFMIFQFWKIQ-UHFFFAOYSA-N
XLogP14.12
TPSA55.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.90
LogP ≤ 514.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine?
The IUPAC name of 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine (CID 118532581) is 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine.
What is the SMILES notation for 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine?
The canonical SMILES for 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine is c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3cc4sc(-c5ccc(N6c7ccccc7Oc7ccccc76)cc5)nc4cc32)cc1.
What is the InChIKey of 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine?
The InChIKey is KETOFMIFQFWKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O2S/c1-2-12-34(13-3-1)55-43-30-38-48(58-50(52-38)33-24-28-36(29-25-33)54-41-16-6-10-20-46(41)57-47-21-11-7-17-42(47)54)31-37(43)51-49(55)32-22-26-35(27-23-32)53-39-14-4-8-18-44(39)56-45-19-9-5-15-40(45)53/h1-31H.
What are the key properties of 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine?
10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine has a molecular weight of 765.90 g/mol, XLogP of 14.12, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-[2-(4-phenoxazin-10-ylphenyl)-5-phenylimidazo[4,5-f][1,3]benzothiazol-6-yl]phenyl]phenoxazine is sourced from PubChem (CID 118532581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).