10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine

C156H102N12O7S3 — CID 157193859

About 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine

10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine (PubChem CID 157193859) has the molecular formula C156H102N12O7S3 and a molecular weight of 2352.81 g/mol. Its IUPAC name is 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine.

Molecular Properties

• Compound Name: 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine
• PubChem CID: 157193859
• Molecular Formula: C156H102N12O7S3
• Molecular Weight: 2352.81 g/mol
• Exact Mass: 2350.72
• IUPAC Name: 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine
• SMILES: CC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4o3)ccc2-c2ccc(-c3nc4ccccc4o3)cc2N2c3ccccc3Oc3ccccc32)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc4ccccc4o3)c(-c3nc4ccccc4o3)c2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Sc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1
• InChI: InChI=1S/2C53H36N4O3.C50H30N4OS3/c1-53(2)39-15-3-7-19-43(39)56(44-20-8-4-16-40(44)53)33-27-29-35(37(31-33)51-54-41-17-5-11-23-47(41)59-51)36-30-28-34(32-38(36)52-55-42-18-6-12-24-48(42)60-52)57-45-21-9-13-25-49(45)58-50-26-14-10-22-46(50)57;1-53(2)37-15-3-7-19-41(37)56(42-20-8-4-16-38(42)53)45-31-33(51-54-39-17-5-11-23-47(39)59-51)27-29-35(45)36-30-28-34(52-55-40-18-6-12-24-48(40)60-52)32-46(36)57-43-21-9-13-25-49(43)58-50-26-14-10-22-44(50)57;1-9-21-45-37(13-1)51-49(57-45)33-25-31(27-35(29-33)53-39-15-3-7-19-43(39)55-44-20-8-4-16-40(44)53)32-26-34(50-52-38-14-2-10-22-46(38)58-50)30-36(28-32)54-41-17-5-11-23-47(41)56-48-24-12-6-18-42(48)54/h2*3-32H,1-2H3;1-30H
• InChIKey: APZYOUPPPYHFEF-UHFFFAOYSA-N
• XLogP: 44.73
• TPSA: 177.03 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2352.81
LogP ≤ 5	44.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

The IUPAC name of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine (CID 157193859) is 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine.

What is the SMILES notation for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

The canonical SMILES for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine is CC1(C)c2ccccc2N(c2cc(-c3nc4ccccc4o3)ccc2-c2ccc(-c3nc4ccccc4o3)cc2N2c3ccccc3Oc3ccccc32)c2ccccc21.CC1(C)c2ccccc2N(c2ccc(-c3ccc(N4c5ccccc5Oc5ccccc54)cc3-c3nc4ccccc4o3)c(-c3nc4ccccc4o3)c2)c2ccccc21.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2cc(-c3nc4ccccc4s3)cc(N3c4ccccc4Sc4ccccc43)c2)cc(-c2nc3ccccc3s2)c1.

What is the InChIKey of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

The InChIKey is APZYOUPPPYHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C53H36N4O3.C50H30N4OS3/c1-53(2)39-15-3-7-19-43(39)56(44-20-8-4-16-40(44)53)33-27-29-35(37(31-33)51-54-41-17-5-11-23-47(41)59-51)36-30-28-34(32-38(36)52-55-42-18-6-12-24-48(42)60-52)57-45-21-9-13-25-49(45)58-50-26-14-10-22-46(50)57;1-53(2)37-15-3-7-19-41(37)56(42-20-8-4-16-38(42)53)45-31-33(51-54-39-17-5-11-23-47(39)59-51)27-29-35(45)36-30-28-34(52-55-40-18-6-12-24-48(40)60-52)32-46(36)57-43-21-9-13-25-49(43)58-50-26-14-10-22-44(50)57;1-9-21-45-37(13-1)51-49(57-45)33-25-31(27-35(29-33)53-39-15-3-7-19-43(39)55-44-20-8-4-16-40(44)53)32-26-34(50-52-38-14-2-10-22-46(38)58-50)30-36(28-32)54-41-17-5-11-23-47(41)56-48-24-12-6-18-42(48)54/h2*3-32H,1-2H3;1-30H.

What are the key properties of 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine?

10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine has a molecular weight of 2352.81 g/mol, XLogP of 44.73, 15 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[3-(1,3-benzothiazol-2-yl)-5-[3-(1,3-benzothiazol-2-yl)-5-phenothiazin-10-ylphenyl]phenyl]phenoxazine;10-[3-(1,3-benzoxazol-2-yl)-4-[2-(1,3-benzoxazol-2-yl)-4-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine;10-[5-(1,3-benzoxazol-2-yl)-2-[4-(1,3-benzoxazol-2-yl)-2-(9,9-dimethylacridin-10-yl)phenyl]phenyl]phenoxazine is sourced from PubChem (CID 157193859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).