10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine

C152H86N16O12 — CID 157322340

About 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine

10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine (PubChem CID 157322340) has the molecular formula C152H86N16O12 and a molecular weight of 2328.46 g/mol. Its IUPAC name is 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine.

Molecular Properties

• Compound Name: 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
• PubChem CID: 157322340
• Molecular Formula: C152H86N16O12
• Molecular Weight: 2328.46 g/mol
• Exact Mass: 2326.66
• IUPAC Name: 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
• SMILES: c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)c2ccc3c(-c4nc5ccccc5o4)cc(N4c5ccccc5Oc5ccccc54)cc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)c2ccc3c(-c4nc5cnccc5o4)cc(N4c5ccccc5Oc5ccccc54)cc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)c2ccc3c(-c4nc5ncccc5o4)cc(N4c5ccccc5Oc5ccccc54)cc3c2c1
• InChI: InChI=1S/C52H30N4O4.2C50H28N6O4/c1-7-19-45-39(13-1)53-51(59-45)37-29-31(55-41-15-3-9-21-47(41)57-48-22-10-4-16-42(48)55)27-35-33(37)25-26-34-36(35)28-32(30-38(34)52-54-40-14-2-8-20-46(40)60-52)56-43-17-5-11-23-49(43)58-50-24-12-6-18-44(50)56;1-5-15-41-37(11-1)55(38-12-2-6-16-42(38)57-41)29-25-33-31(35(27-29)49-53-47-45(59-49)19-9-23-51-47)21-22-32-34(33)26-30(28-36(32)50-54-48-46(60-50)20-10-24-52-48)56-39-13-3-7-17-43(39)58-44-18-8-4-14-40(44)56;1-5-13-45-39(9-1)55(40-10-2-6-14-46(40)57-45)29-23-33-31(35(25-29)49-53-37-27-51-21-19-43(37)59-49)17-18-32-34(33)24-30(26-36(32)50-54-38-28-52-22-20-44(38)60-50)56-41-11-3-7-15-47(41)58-48-16-8-4-12-42(48)56/h1-30H;2*1-28H
• InChIKey: BEHWASNRASTSGR-UHFFFAOYSA-N
• XLogP: 41.86
• TPSA: 282.56 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2328.46
LogP ≤ 5	41.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?

The IUPAC name of 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine (CID 157322340) is 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine.

What is the SMILES notation for 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?

The canonical SMILES for 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccccc3o2)c2ccc3c(-c4nc5ccccc5o4)cc(N4c5ccccc5Oc5ccccc54)cc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)c2ccc3c(-c4nc5cnccc5o4)cc(N4c5ccccc5Oc5ccccc54)cc3c2c1.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)c2ccc3c(-c4nc5ncccc5o4)cc(N4c5ccccc5Oc5ccccc54)cc3c2c1.

What is the InChIKey of 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?

The InChIKey is BEHWASNRASTSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4O4.2C50H28N6O4/c1-7-19-45-39(13-1)53-51(59-45)37-29-31(55-41-15-3-9-21-47(41)57-48-22-10-4-16-42(48)55)27-35-33(37)25-26-34-36(35)28-32(30-38(34)52-54-40-14-2-8-20-46(40)60-52)56-43-17-5-11-23-49(43)58-50-24-12-6-18-44(50)56;1-5-15-41-37(11-1)55(38-12-2-6-16-42(38)57-41)29-25-33-31(35(27-29)49-53-47-45(59-49)19-9-23-51-47)21-22-32-34(33)26-30(28-36(32)50-54-48-46(60-50)20-10-24-52-48)56-39-13-3-7-17-43(39)58-44-18-8-4-14-40(44)56;1-5-13-45-39(9-1)55(40-10-2-6-14-46(40)57-45)29-23-33-31(35(25-29)49-53-37-27-51-21-19-43(37)59-49)17-18-32-34(33)24-30(26-36(32)50-54-38-28-52-22-20-44(38)60-50)56-41-11-3-7-15-47(41)58-48-16-8-4-12-42(48)56/h1-30H;2*1-28H.

What are the key properties of 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?

10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine has a molecular weight of 2328.46 g/mol, XLogP of 41.86, 12 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[1,8-bis(1,3-benzoxazol-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine;10-[1,8-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-6-phenoxazin-10-ylphenanthren-3-yl]phenoxazine is sourced from PubChem (CID 157322340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).