10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole

C193H127N17O6S5 — CID 157299859

IUPAC10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(N2c3ccccc3N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/2C31H21N3O.C31H21N3S.C25H16N2O2.2C25H16N2OS.C25H16N2S2/c1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)24-20-18-22(19-21-24)31-32-25-12-4-9-17-30(25)35-31;2*1-2-10-23(11-3-1)34-26-13-5-4-12-25(26)32-31(34)22-18-20-24(21-19-22)33-27-14-6-8-16-29(27)35-30-17-9-7-15-28(30)33;1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27;1-6-12-24-19(7-1)26-25(29-24)17-13-15-18(16-14-17)27-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)27;1-4-10-22-19(7-1)26-25(28-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)29-24-12-6-3-9-21(24)27;1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27/h3*1-21H;4*1-16H
InChIKeyBBTRZLHUDKJHLY-UHFFFAOYSA-N
MW2940.59 g/mol
LogP55.58
Rot. Bonds17

About 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole

10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole (PubChem CID 157299859) has the molecular formula C193H127N17O6S5 and a molecular weight of 2940.59 g/mol. Its IUPAC name is 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole
PubChem CID157299859
Molecular FormulaC193H127N17O6S5
Molecular Weight2940.59 g/mol
Exact Mass2937.88
IUPAC Name10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole
SMILESc1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(N2c3ccccc3N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1
InChIInChI=1S/2C31H21N3O.C31H21N3S.C25H16N2O2.2C25H16N2OS.C25H16N2S2/c1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)24-20-18-22(19-21-24)31-32-25-12-4-9-17-30(25)35-31;2*1-2-10-23(11-3-1)34-26-13-5-4-12-25(26)32-31(34)22-18-20-24(21-19-22)33-27-14-6-8-16-29(27)35-30-17-9-7-15-28(30)33;1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27;1-6-12-24-19(7-1)26-25(29-24)17-13-15-18(16-14-17)27-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)27;1-4-10-22-19(7-1)26-25(28-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)29-24-12-6-3-9-21(24)27;1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27/h3*1-21H;4*1-16H
InChIKeyBBTRZLHUDKJHLY-UHFFFAOYSA-N
XLogP55.58
TPSA193.12 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds17
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002940.59
LogP ≤ 555.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

6-[4-(1,1-Difluoroethoxy)phenyl]-1-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-phenyl-3-(trifluoromethyl)imidazo[1,5-a]pyridine;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzothiazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-benzoxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-oxazole;2-[3-(trifluoromethyl)imidazo[1,5-a]pyridin-6-yl]-1,3-thiazole
CID 160592384
2-[3-Anthracen-9-yl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]-1,3-benzoxazole;2-[4-anthracen-9-yl-6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]-1,3-benzoxazole;2-[3-[3-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-5-(1,10-phenanthrolin-5-yl)phenyl]-1,3-benzothiazole;2-[3-(1,10-phenanthrolin-5-yl)-5-[3-[4-phenyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]phenyl]phenyl]-1,3-benzothiazole;2-[6-[3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)phenyl]-2-quinoxalin-5-ylpyrimidin-4-yl]-1,3-benzoxazole
CID 161951747
3-[2-[3-[5-(1,3-Benzothiazol-2-yloxy)-1-ethyl-3-methylbenzimidazol-2-ylidene]prop-1-enyl]-6-(1,3-benzoxazol-2-yl)-3-phenylbenzimidazol-1-ium-1-yl]propane-1-sulfonic acid
CID 4549743
2,6-Bis[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-[1,3]thiazolo[5,4-f][1,3]benzoxazole
CID 118532523
2-[4-(Benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-6-phenyl-[1,3]thiazolo[5,4-f][1,3]benzoxazole
CID 118532641
3-[2-[(Z,3Z)-3-[5-(1,3-benzothiazol-2-yloxy)-1-ethyl-3-methylbenzimidazol-2-ylidene]prop-1-enyl]-6-(1,3-benzoxazol-2-yl)-3-phenylbenzimidazol-1-ium-1-yl]propane-1-sulfonate
CID 136091932
2-[3-[6-[[4-[3-[6-[[4-[3-(1,3-Benzoxazol-2-yl)propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1,3-benzothiazol-2-yl]propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1-methylbenzimidazol-2-yl]propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 137507099
2-[6-(1,3-Benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole
CID 155366202
2-[6-Benzo[f][1,3]benzothiazol-2-yl-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole
CID 155366207
2-[6-(1,3-Benzothiazol-2-yl)-9-(1,4-diphenylbenzimidazol-2-yl)carbazol-3-yl]-7-phenyl-1,3-benzoxazole
CID 155366208
2-[6-(1,3-Benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-1,3-benzoxazole
CID 155366213
2-[6-(1,3-Benzothiazol-2-yl)-9-(1-phenylbenzimidazol-2-yl)carbazol-3-yl]-6-naphthalen-2-yl-1,3-benzoxazole
CID 155366214

Frequently Asked Questions

What is the IUPAC name of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The IUPAC name of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole (CID 157299859) is 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole is c1ccc(-n2c(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(-n2c(-c3ccc(N4c5ccccc5Sc5ccccc54)cc3)nc3ccccc32)cc1.c1ccc(N2c3ccccc3N(c3ccc(-c4nc5ccccc5o4)cc3)c3ccccc32)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Oc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nc3ccccc3o2)cc1.c1ccc2c(c1)Sc1ccccc1N2c1ccc(-c2nc3ccccc3s2)cc1.
What is the InChIKey of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole?
The InChIKey is BBTRZLHUDKJHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H21N3O.C31H21N3S.C25H16N2O2.2C25H16N2OS.C25H16N2S2/c1-2-10-23(11-3-1)33-26-13-5-7-15-28(26)34(29-16-8-6-14-27(29)33)24-20-18-22(19-21-24)31-32-25-12-4-9-17-30(25)35-31;2*1-2-10-23(11-3-1)34-26-13-5-4-12-25(26)32-31(34)22-18-20-24(21-19-22)33-27-14-6-8-16-29(27)35-30-17-9-7-15-28(30)33;1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27;1-6-12-24-19(7-1)26-25(29-24)17-13-15-18(16-14-17)27-20-8-2-4-10-22(20)28-23-11-5-3-9-21(23)27;1-4-10-22-19(7-1)26-25(28-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)29-24-12-6-3-9-21(24)27;1-4-10-22-19(7-1)26-25(29-22)17-13-15-18(16-14-17)27-20-8-2-5-11-23(20)28-24-12-6-3-9-21(24)27/h3*1-21H;4*1-16H.
What are the key properties of 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole?
10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole has a molecular weight of 2940.59 g/mol, XLogP of 55.58, 17 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(1,3-benzothiazol-2-yl)phenyl]phenothiazine;10-[4-(1,3-benzothiazol-2-yl)phenyl]phenoxazine;10-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxazine;2-(4-phenothiazin-10-ylphenyl)-1,3-benzoxazole;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenothiazine;10-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine;2-[4-(10-phenylphenazin-5-yl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 157299859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).