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

C50H28N6O4 — CID 129148108

IUPAC10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3o2)c2ccc3c(N4c5ccccc5Oc5ccccc54)cc(-c4nc5ccncc5o4)cc3c2c1
InChIInChI=1S/C50H28N6O4/c1-5-13-43-38(9-1)55(39-10-2-6-14-44(39)57-43)30-25-34-31(35(26-30)50-54-37-20-22-52-28-48(37)60-50)17-18-32-33(34)23-29(49-53-36-19-21-51-27-47(36)59-49)24-42(32)56-40-11-3-7-15-45(40)58-46-16-8-4-12-41(46)56/h1-28H
InChIKeyXQGZMTBHOHIXIZ-UHFFFAOYSA-N
MW776.81 g/mol
LogP13.55
Rot. Bonds4

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

10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine (PubChem CID 129148108) has the molecular formula C50H28N6O4 and a molecular weight of 776.81 g/mol. Its IUPAC name is 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine.

Molecular Properties

Compound Name10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
PubChem CID129148108
Molecular FormulaC50H28N6O4
Molecular Weight776.81 g/mol
Exact Mass776.22
IUPAC Name10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3o2)c2ccc3c(N4c5ccccc5Oc5ccccc54)cc(-c4nc5ccncc5o4)cc3c2c1
InChIInChI=1S/C50H28N6O4/c1-5-13-43-38(9-1)55(39-10-2-6-14-44(39)57-43)30-25-34-31(35(26-30)50-54-37-20-22-52-28-48(37)60-50)17-18-32-33(34)23-29(49-53-36-19-21-51-27-47(36)59-49)24-42(32)56-40-11-3-7-15-45(40)58-46-16-8-4-12-41(46)56/h1-28H
InChIKeyXQGZMTBHOHIXIZ-UHFFFAOYSA-N
XLogP13.55
TPSA102.78 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.81
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

10-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
10-[4,8-bis(1,3-benzoxazol-2-yl)-6-phenothiazin-10-ylnaphthalen-2-yl]phenoxazine
CID 129148213
N-[(Z)-2-[5-methyl-2-[4-[4-([1,3]oxazolo[5,4-c]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]-3-phenoxazin-10-ylphenyl]-1,3-oxazol-4-yl]ethenyl]methanimine
CID 129150906
2-phenyl-[1,3]oxazolo[5,4-c]pyridine
CID 19979601
2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[fluorene-9,9'-xanthene]-3-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
CID 164783900
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[3-([1,3]oxazolo[5,4-b]pyridin-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 129148066
10-[3-phenoxazin-10-yl-5,7-bis(4-pyridin-2-yl-6-pyridin-3-yl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290700
2-[3-([1,3]oxazolo[5,4-c]pyridin-2-yl)-5-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl]-[1,3]oxazolo[5,4-c]pyridine
CID 164783887
10-[3-(4-phenoxazin-10-yl-3-pyridinyl)-4-pyridinyl]phenoxazine
CID 140910344
10-[3-(4,6-diphenyl-1,3-benzoxazol-2-yl)-5-phenoxazin-10-ylphenyl]phenoxazine
CID 137473462
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
CID 177272837

Frequently Asked Questions

What is the IUPAC name of 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?
The IUPAC name of 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine (CID 129148108) is 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine.
What is the SMILES notation for 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?
The canonical SMILES for 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2nc3ccncc3o2)c2ccc3c(N4c5ccccc5Oc5ccccc54)cc(-c4nc5ccncc5o4)cc3c2c1.
What is the InChIKey of 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?
The InChIKey is XQGZMTBHOHIXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H28N6O4/c1-5-13-43-38(9-1)55(39-10-2-6-14-44(39)57-43)30-25-34-31(35(26-30)50-54-37-20-22-52-28-48(37)60-50)17-18-32-33(34)23-29(49-53-36-19-21-51-27-47(36)59-49)24-42(32)56-40-11-3-7-15-45(40)58-46-16-8-4-12-41(46)56/h1-28H.
What are the key properties of 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine?
10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine has a molecular weight of 776.81 g/mol, XLogP of 13.55, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine is sourced from PubChem (CID 129148108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).