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

C200H112N24O16 — CID 157321618

IUPAC10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cccnc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ccncc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cnccc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ncccc4o3)cc12
InChIInChI=1S/4C50H28N6O4/c1-5-17-43-37(13-1)55(38-14-2-6-18-44(38)57-43)41-27-29(47-53-35-11-9-23-51-49(35)59-47)25-33-31(41)21-22-32-34(33)26-30(48-54-36-12-10-24-52-50(36)60-48)28-42(32)56-39-15-3-7-19-45(39)58-46-20-8-4-16-40(46)56;1-5-15-41-35(11-1)55(36-12-2-6-16-42(36)57-41)39-27-29(49-53-47-45(59-49)19-9-23-51-47)25-33-31(39)21-22-32-34(33)26-30(50-54-48-46(60-50)20-10-24-52-48)28-40(32)56-37-13-3-7-17-43(37)58-44-18-8-4-14-38(44)56;1-5-13-45-37(9-1)55(38-10-2-6-14-46(38)57-45)41-25-29(49-53-35-27-51-21-19-43(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-28-52-22-20-44(36)60-50)26-42(32)56-39-11-3-7-15-47(39)58-48-16-8-4-12-40(48)56;1-5-13-43-37(9-1)55(38-10-2-6-14-44(38)57-43)41-25-29(49-53-35-19-21-51-27-47(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-20-22-52-28-48(36)60-50)26-42(32)56-39-11-3-7-15-45(39)58-46-16-8-4-12-40(46)56/h4*1-28H
InChIKeyBEFQXNMPGSXJLL-UHFFFAOYSA-N
MW3107.25 g/mol
LogP54.20
Rot. Bonds16

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

10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine (PubChem CID 157321618) has the molecular formula C200H112N24O16 and a molecular weight of 3107.25 g/mol. Its IUPAC name is 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine.

Molecular Properties

Compound Name10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine
PubChem CID157321618
Molecular FormulaC200H112N24O16
Molecular Weight3107.25 g/mol
Exact Mass3104.87
IUPAC Name10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cccnc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ccncc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cnccc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ncccc4o3)cc12
InChIInChI=1S/4C50H28N6O4/c1-5-17-43-37(13-1)55(38-14-2-6-18-44(38)57-43)41-27-29(47-53-35-11-9-23-51-49(35)59-47)25-33-31(41)21-22-32-34(33)26-30(48-54-36-12-10-24-52-50(36)60-48)28-42(32)56-39-15-3-7-19-45(39)58-46-20-8-4-16-40(46)56;1-5-15-41-35(11-1)55(36-12-2-6-16-42(36)57-41)39-27-29(49-53-47-45(59-49)19-9-23-51-47)25-33-31(39)21-22-32-34(33)26-30(50-54-48-46(60-50)20-10-24-52-48)28-40(32)56-37-13-3-7-17-43(37)58-44-18-8-4-14-38(44)56;1-5-13-45-37(9-1)55(38-10-2-6-14-46(38)57-45)41-25-29(49-53-35-27-51-21-19-43(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-28-52-22-20-44(36)60-50)26-42(32)56-39-11-3-7-15-47(39)58-48-16-8-4-12-40(48)56;1-5-13-43-37(9-1)55(38-10-2-6-14-44(38)57-43)41-25-29(49-53-35-19-21-51-27-47(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-20-22-52-28-48(36)60-50)26-42(32)56-39-11-3-7-15-45(39)58-46-16-8-4-12-40(46)56/h4*1-28H
InChIKeyBEFQXNMPGSXJLL-UHFFFAOYSA-N
XLogP54.20
TPSA411.12 Ų
H-Bond Donors
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms240
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003107.25
LogP ≤ 554.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine?
The IUPAC name of 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine (CID 157321618) is 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine.
What is the SMILES notation for 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine?
The canonical SMILES for 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cccnc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cccnc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ccncc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3cnccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4cnccc4o3)cc12.c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ncccc3o2)cc2c1ccc1c(N3c4ccccc4Oc4ccccc43)cc(-c3nc4ncccc4o3)cc12.
What is the InChIKey of 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine?
The InChIKey is BEFQXNMPGSXJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C50H28N6O4/c1-5-17-43-37(13-1)55(38-14-2-6-18-44(38)57-43)41-27-29(47-53-35-11-9-23-51-49(35)59-47)25-33-31(41)21-22-32-34(33)26-30(48-54-36-12-10-24-52-50(36)60-48)28-42(32)56-39-15-3-7-19-45(39)58-46-20-8-4-16-40(46)56;1-5-15-41-35(11-1)55(36-12-2-6-16-42(36)57-41)39-27-29(49-53-47-45(59-49)19-9-23-51-47)25-33-31(39)21-22-32-34(33)26-30(50-54-48-46(60-50)20-10-24-52-48)28-40(32)56-37-13-3-7-17-43(37)58-44-18-8-4-14-38(44)56;1-5-13-45-37(9-1)55(38-10-2-6-14-46(38)57-45)41-25-29(49-53-35-27-51-21-19-43(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-28-52-22-20-44(36)60-50)26-42(32)56-39-11-3-7-15-47(39)58-48-16-8-4-12-40(48)56;1-5-13-43-37(9-1)55(38-10-2-6-14-44(38)57-43)41-25-29(49-53-35-19-21-51-27-47(35)59-49)23-33-31(41)17-18-32-34(33)24-30(50-54-36-20-22-52-28-48(36)60-50)26-42(32)56-39-11-3-7-15-45(39)58-46-16-8-4-12-40(46)56/h4*1-28H.
What are the key properties of 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine?
10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine has a molecular weight of 3107.25 g/mol, XLogP of 54.20, 16 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3,6-bis([1,3]oxazolo[4,5-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-b]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine;10-[3,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-1-yl]phenoxazine is sourced from PubChem (CID 157321618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).