10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine

C50H31N5O2S — CID 118532577

IUPAC10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Oc5ccccc54)c3s2)cc1
InChIInChI=1S/C50H31N5O2S/c1-4-18-32(19-5-1)49-51-43-45(53(49)34-22-8-3-9-23-34)46(54-35-24-10-14-28-39(35)56-40-29-15-11-25-36(40)54)44-48(58-50(52-44)33-20-6-2-7-21-33)47(43)55-37-26-12-16-30-41(37)57-42-31-17-13-27-38(42)55/h1-31H
InChIKeyYQWWYMKBAJBGNQ-UHFFFAOYSA-N
MW765.90 g/mol
LogP14.12
Rot. Bonds5

About 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine

10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine (PubChem CID 118532577) has the molecular formula C50H31N5O2S and a molecular weight of 765.90 g/mol. Its IUPAC name is 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine.

Molecular Properties

Compound Name10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine
PubChem CID118532577
Molecular FormulaC50H31N5O2S
Molecular Weight765.90 g/mol
Exact Mass765.22
IUPAC Name10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine
SMILESc1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Oc5ccccc54)c3s2)cc1
InChIInChI=1S/C50H31N5O2S/c1-4-18-32(19-5-1)49-51-43-45(53(49)34-22-8-3-9-23-34)46(54-35-24-10-14-28-39(35)56-40-29-15-11-25-36(40)54)44-48(58-50(52-44)33-20-6-2-7-21-33)47(43)55-37-26-12-16-30-41(37)57-42-31-17-13-27-38(42)55/h1-31H
InChIKeyYQWWYMKBAJBGNQ-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

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Frequently Asked Questions

What is the IUPAC name of 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine?
The IUPAC name of 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine (CID 118532577) is 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine.
What is the SMILES notation for 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine?
The canonical SMILES for 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine is c1ccc(-c2nc3c(N4c5ccccc5Oc5ccccc54)c4c(nc(-c5ccccc5)n4-c4ccccc4)c(N4c5ccccc5Oc5ccccc54)c3s2)cc1.
What is the InChIKey of 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine?
The InChIKey is YQWWYMKBAJBGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H31N5O2S/c1-4-18-32(19-5-1)49-51-43-45(53(49)34-22-8-3-9-23-34)46(54-35-24-10-14-28-39(35)56-40-29-15-11-25-36(40)54)44-48(58-50(52-44)33-20-6-2-7-21-33)47(43)55-37-26-12-16-30-41(37)57-42-31-17-13-27-38(42)55/h1-31H.
What are the key properties of 10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine?
10-(4-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)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-phenoxazin-10-yl-2,5,6-triphenylimidazo[4,5-f][1,3]benzothiazol-8-yl)phenoxazine is sourced from PubChem (CID 118532577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).