4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

C56H37N3O2S — CID 118532602

IUPAC4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(-c4ccc(N5c6ccccc6S(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c4oc(-c5ccccc5)nc4c(-c4ccccc4)c3o2)cc1
InChIInChI=1S/C56H37N3O2S/c1-6-20-38(21-7-1)49-51-54(61-55(57-51)40-22-8-2-9-23-40)50(52-53(49)60-56(58-52)41-24-10-3-11-25-41)39-34-36-42(37-35-39)59-45-30-16-18-32-47(45)62(43-26-12-4-13-27-43,44-28-14-5-15-29-44)48-33-19-17-31-46(48)59/h1-37H
InChIKeyTUTCLRZJWBCXDD-UHFFFAOYSA-N
MW816.00 g/mol
LogP15.76
Rot. Bonds7

About 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole

4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (PubChem CID 118532602) has the molecular formula C56H37N3O2S and a molecular weight of 816.00 g/mol. Its IUPAC name is 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.

Molecular Properties

Compound Name4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
PubChem CID118532602
Molecular FormulaC56H37N3O2S
Molecular Weight816.00 g/mol
Exact Mass815.26
IUPAC Name4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(-c4ccc(N5c6ccccc6S(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c4oc(-c5ccccc5)nc4c(-c4ccccc4)c3o2)cc1
InChIInChI=1S/C56H37N3O2S/c1-6-20-38(21-7-1)49-51-54(61-55(57-51)40-22-8-2-9-23-40)50(52-53(49)60-56(58-52)41-24-10-3-11-25-41)39-34-36-42(37-35-39)59-45-30-16-18-32-47(45)62(43-26-12-4-13-27-43,44-28-14-5-15-29-44)48-33-19-17-31-46(48)59/h1-37H
InChIKeyTUTCLRZJWBCXDD-UHFFFAOYSA-N
XLogP15.76
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.00
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 118532601
10-[4-(2,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5,5-diphenylphenothiazine
CID 121244953
1,1-bis[4-(5,5-diphenylphenothiazin-10-yl)phenyl]hydrazine
CID 170220363
4-(9,9-diphenyl-2-aza-9-silanuidatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl)-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 163743859
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-(2-bromophenyl)-5,5-diphenylphenothiazine
CID 155353302
4,8-dichloro-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 134923956
4,8-bis(4-dodecoxyphenyl)-2,6-diphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 101247000
10-[4-(5,5-diphenylbenzo[b][1,4]benzothiaphosphinin-10-yl)phenyl]phenoxazine
CID 139305599
2-[4-(9H-acridin-10-yl)phenyl]-1,3-benzoxazole
CID 157498338
2-[4-[4-(2,3,4,5-tetraphenylpyrrol-1-yl)phenyl]phenyl]-1,3-benzoxazole
CID 58489486
5,5-dimethyl-10-phenylphenothiazine
CID 130452501

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The IUPAC name of 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole (CID 118532602) is 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole.
What is the SMILES notation for 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The canonical SMILES for 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is c1ccc(-c2nc3c(-c4ccc(N5c6ccccc6S(c6ccccc6)(c6ccccc6)c6ccccc65)cc4)c4oc(-c5ccccc5)nc4c(-c4ccccc4)c3o2)cc1.
What is the InChIKey of 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
The InChIKey is TUTCLRZJWBCXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H37N3O2S/c1-6-20-38(21-7-1)49-51-54(61-55(57-51)40-22-8-2-9-23-40)50(52-53(49)60-56(58-52)41-24-10-3-11-25-41)39-34-36-42(37-35-39)59-45-30-16-18-32-47(45)62(43-26-12-4-13-27-43,44-28-14-5-15-29-44)48-33-19-17-31-46(48)59/h1-37H.
What are the key properties of 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole?
4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole has a molecular weight of 816.00 g/mol, XLogP of 15.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5,5-diphenylphenothiazin-10-yl)phenyl]-2,6,8-triphenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole is sourced from PubChem (CID 118532602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).