10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine

C48H28N4O3S — CID 129148213

IUPAC10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)c2cc(N3c4ccccc4Sc4ccccc43)cc(-c3nc4ccccc4o3)c2c1
InChIInChI=1S/C48H28N4O3S/c1-7-19-41-35(13-1)49-47(54-41)33-27-29(51-37-15-3-9-21-43(37)53-44-22-10-4-16-38(44)51)25-31-32(33)26-30(28-34(31)48-50-36-14-2-8-20-42(36)55-48)52-39-17-5-11-23-45(39)56-46-24-12-6-18-40(46)52/h1-28H
InChIKeyYYPTYBIGTXHCKR-UHFFFAOYSA-N
MW740.84 g/mol
LogP13.97
Rot. Bonds4

About 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine

10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine (PubChem CID 129148213) has the molecular formula C48H28N4O3S and a molecular weight of 740.84 g/mol. Its IUPAC name is 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine.

Molecular Properties

Compound Name10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
PubChem CID129148213
Molecular FormulaC48H28N4O3S
Molecular Weight740.84 g/mol
Exact Mass740.19
IUPAC Name10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)c2cc(N3c4ccccc4Sc4ccccc43)cc(-c3nc4ccccc4o3)c2c1
InChIInChI=1S/C48H28N4O3S/c1-7-19-41-35(13-1)49-47(54-41)33-27-29(51-37-15-3-9-21-43(37)53-44-22-10-4-16-38(44)51)25-31-32(33)26-30(28-34(31)48-50-36-14-2-8-20-42(36)55-48)52-39-17-5-11-23-45(39)56-46-24-12-6-18-40(46)52/h1-28H
InChIKeyYYPTYBIGTXHCKR-UHFFFAOYSA-N
XLogP13.97
TPSA67.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.84
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(1,3-benzoxazol-2-yl)-4-phenothiazin-10-ylphenol
CID 140728420
2-[4-(1,3-benzoxazol-2-yl)-2,3,5-tris(3-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 164705897
2-[2,5-bis(1,3-benzoxazol-2-yl)-3,6-bis(3-phenothiazin-10-ylphenyl)phenyl]-1,3-benzoxazole
CID 165111520
10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
CID 129148108
10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine
CID 129148131
2-[7-(1,3-benzoxazol-2-yl)-10-(3,5-diphenylphenyl)phenothiazin-3-yl]-1,3-benzoxazole
CID 147925459
10-[4-[4-phenothiazin-10-yl-2-(1-phenylbenzimidazol-2-yl)phenyl]-3-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148191
10-[5,7-bis(4,6-dipyridin-2-ylpyrimidin-2-yl)-3-phenothiazin-10-ylnaphthalen-1-yl]phenoxazine
CID 129290721
10-[3-(2,6-diphenylpyrimidin-4-yl)-5-phenothiazin-10-ylphenyl]phenoxazine
CID 118528544
10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
CID 140728464
CID 140728464
10-[3-[3,5-bis(4,6-diphenylpyrimidin-2-yl)phenyl]-5-phenothiazin-10-ylphenyl]phenoxazine
CID 129291663

Frequently Asked Questions

What is the IUPAC name of 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
The IUPAC name of 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine (CID 129148213) is 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine.
What is the SMILES notation for 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
The canonical SMILES for 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)c2cc(N3c4ccccc4Sc4ccccc43)cc(-c3nc4ccccc4o3)c2c1.
What is the InChIKey of 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
The InChIKey is YYPTYBIGTXHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H28N4O3S/c1-7-19-41-35(13-1)49-47(54-41)33-27-29(51-37-15-3-9-21-43(37)53-44-22-10-4-16-38(44)51)25-31-32(33)26-30(28-34(31)48-50-36-14-2-8-20-42(36)55-48)52-39-17-5-11-23-45(39)56-46-24-12-6-18-40(46)52/h1-28H.
What are the key properties of 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine?
10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine has a molecular weight of 740.84 g/mol, XLogP of 13.97, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine is sourced from PubChem (CID 129148213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).