10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine

C194H114N22O10S6 — CID 158178830

IUPAC10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3o2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3s2)ccc1-c1ccc(-c2nc3cccnc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3s2)ccc1-c1ccc(-c2nc3ccncc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3s2)ccc1-c1ccc(-c2nc3cnccc3s2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C50H30N4O4.3C48H28N6O2S2/c1-7-19-43-37(13-1)51-49(57-43)33-25-31(27-35(29-33)53-39-15-3-9-21-45(39)55-46-22-10-4-16-40(46)53)32-26-34(50-52-38-14-2-8-20-44(38)58-50)30-36(28-32)54-41-17-5-11-23-47(41)56-48-24-12-6-18-42(48)54;1-5-17-41-35(13-1)53(36-14-2-6-18-42(36)55-41)39-27-29(45-51-33-11-9-25-49-47(33)57-45)21-23-31(39)32-24-22-30(46-52-34-12-10-26-50-48(34)58-46)28-40(32)54-37-15-3-7-19-43(37)56-44-20-8-4-16-38(44)54;1-5-13-41-35(9-1)53(36-10-2-6-14-42(36)55-41)39-25-29(47-51-33-27-49-23-21-45(33)57-47)17-19-31(39)32-20-18-30(48-52-34-28-50-24-22-46(34)58-48)26-40(32)54-37-11-3-7-15-43(37)56-44-16-8-4-12-38(44)54;1-5-13-41-35(9-1)53(36-10-2-6-14-42(36)55-41)39-25-29(47-51-33-21-23-49-27-45(33)57-47)17-19-31(39)32-20-18-30(48-52-34-22-24-50-28-46(34)58-48)26-40(32)54-37-11-3-7-15-43(37)56-44-16-8-4-12-38(44)54/h1-30H;3*1-28H
InChIKeyFYIDIWXAJHGVEL-UHFFFAOYSA-N
MW3105.59 g/mol
LogP55.67
Rot. Bonds20

About 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine

10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine (PubChem CID 158178830) has the molecular formula C194H114N22O10S6 and a molecular weight of 3105.59 g/mol. Its IUPAC name is 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine
PubChem CID158178830
Molecular FormulaC194H114N22O10S6
Molecular Weight3105.59 g/mol
Exact Mass3102.74
IUPAC Name10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3o2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3s2)ccc1-c1ccc(-c2nc3cccnc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3s2)ccc1-c1ccc(-c2nc3ccncc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3s2)ccc1-c1ccc(-c2nc3cnccc3s2)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C50H30N4O4.3C48H28N6O2S2/c1-7-19-43-37(13-1)51-49(57-43)33-25-31(27-35(29-33)53-39-15-3-9-21-45(39)55-46-22-10-4-16-40(46)53)32-26-34(50-52-38-14-2-8-20-44(38)58-50)30-36(28-32)54-41-17-5-11-23-47(41)56-48-24-12-6-18-42(48)54;1-5-17-41-35(13-1)53(36-14-2-6-18-42(36)55-41)39-27-29(45-51-33-11-9-25-49-47(33)57-45)21-23-31(39)32-24-22-30(46-52-34-12-10-26-50-48(34)58-46)28-40(32)54-37-15-3-7-19-43(37)56-44-20-8-4-16-38(44)54;1-5-13-41-35(9-1)53(36-10-2-6-14-42(36)55-41)39-25-29(47-51-33-27-49-23-21-45(33)57-47)17-19-31(39)32-20-18-30(48-52-34-28-50-24-22-46(34)58-48)26-40(32)54-37-11-3-7-15-43(37)56-44-16-8-4-12-38(44)54;1-5-13-41-35(9-1)53(36-10-2-6-14-42(36)55-41)39-25-29(47-51-33-21-23-49-27-45(33)57-47)17-19-31(39)32-20-18-30(48-52-34-22-24-50-28-46(34)58-48)26-40(32)54-37-11-3-7-15-43(37)56-44-16-8-4-12-38(44)54/h1-30H;3*1-28H
InChIKeyFYIDIWXAJHGVEL-UHFFFAOYSA-N
XLogP55.67
TPSA306.50 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003105.59
LogP ≤ 555.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
The IUPAC name of 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine (CID 158178830) is 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4o3)cc(N3c4ccccc4Oc4ccccc43)c2)cc(-c2nc3ccccc3o2)c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3s2)ccc1-c1ccc(-c2nc3cccnc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3s2)ccc1-c1ccc(-c2nc3ccncc3s2)cc1N1c2ccccc2Oc2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3s2)ccc1-c1ccc(-c2nc3cnccc3s2)cc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
The InChIKey is FYIDIWXAJHGVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O4.3C48H28N6O2S2/c1-7-19-43-37(13-1)51-49(57-43)33-25-31(27-35(29-33)53-39-15-3-9-21-45(39)55-46-22-10-4-16-40(46)53)32-26-34(50-52-38-14-2-8-20-44(38)58-50)30-36(28-32)54-41-17-5-11-23-47(41)56-48-24-12-6-18-42(48)54;1-5-17-41-35(13-1)53(36-14-2-6-18-42(36)55-41)39-27-29(45-51-33-11-9-25-49-47(33)57-45)21-23-31(39)32-24-22-30(46-52-34-12-10-26-50-48(34)58-46)28-40(32)54-37-15-3-7-19-43(37)56-44-20-8-4-16-38(44)54;1-5-13-41-35(9-1)53(36-10-2-6-14-42(36)55-41)39-25-29(47-51-33-27-49-23-21-45(33)57-47)17-19-31(39)32-20-18-30(48-52-34-28-50-24-22-46(34)58-48)26-40(32)54-37-11-3-7-15-43(37)56-44-16-8-4-12-38(44)54;1-5-13-41-35(9-1)53(36-10-2-6-14-42(36)55-41)39-25-29(47-51-33-21-23-49-27-45(33)57-47)17-19-31(39)32-20-18-30(48-52-34-22-24-50-28-46(34)58-48)26-40(32)54-37-11-3-7-15-43(37)56-44-16-8-4-12-38(44)54/h1-30H;3*1-28H.
What are the key properties of 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine?
10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine has a molecular weight of 3105.59 g/mol, XLogP of 55.67, 20 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-(1,3-benzoxazol-2-yl)-5-[3-(1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine;10-[2-[2-phenoxazin-10-yl-4-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]-5-([1,3]thiazolo[5,4-c]pyridin-2-yl)phenyl]phenoxazine is sourced from PubChem (CID 158178830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).