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

C49H32N6O4 — CID 129150906

IUPACN-[(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
SMILESC=N/C=C\c1nc(-c2ccc(-c3ccc(-c4nc5ccncc5o4)cc3N3c4ccccc4Oc4ccccc43)c(N3c4ccccc4Oc4ccccc43)c2)oc1C
InChIInChI=1S/C49H32N6O4/c1-30-35(23-25-50-2)52-48(56-30)31-19-21-33(41(27-31)54-37-11-3-7-15-43(37)57-44-16-8-4-12-38(44)54)34-22-20-32(49-53-36-24-26-51-29-47(36)59-49)28-42(34)55-39-13-5-9-17-45(39)58-46-18-10-6-14-40(46)55/h3-29H,2H2,1H3/b25-23-
InChIKeyQVVXGMLVRXRVHW-BZZOAKBMSA-N
MW768.83 g/mol
LogP13.34
Rot. Bonds7

About 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

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 (PubChem CID 129150906) has the molecular formula C49H32N6O4 and a molecular weight of 768.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID129150906
Molecular FormulaC49H32N6O4
Molecular Weight768.83 g/mol
Exact Mass768.25
IUPAC NameN-[(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
SMILESC=N/C=C\c1nc(-c2ccc(-c3ccc(-c4nc5ccncc5o4)cc3N3c4ccccc4Oc4ccccc43)c(N3c4ccccc4Oc4ccccc43)c2)oc1C
InChIInChI=1S/C49H32N6O4/c1-30-35(23-25-50-2)52-48(56-30)31-19-21-33(41(27-31)54-37-11-3-7-15-43(37)57-44-16-8-4-12-38(44)54)34-22-20-32(49-53-36-24-26-51-29-47(36)59-49)28-42(34)55-39-13-5-9-17-45(39)58-46-18-10-6-14-40(46)55/h3-29H,2H2,1H3/b25-23-
InChIKeyQVVXGMLVRXRVHW-BZZOAKBMSA-N
XLogP13.34
TPSA102.25 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.83
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

10-[1,6-bis([1,3]oxazolo[5,4-c]pyridin-2-yl)-8-phenoxazin-10-ylphenanthren-3-yl]phenoxazine
CID 129148108
10-[5-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-[4-([1,3]oxazolo[4,5-b]pyridin-2-yl)-2-phenoxazin-10-ylphenyl]phenyl]phenoxazine
CID 129148046
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
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-[3,5-bis([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]phenoxazine
CID 129148033
2-phenyl-[1,3]oxazolo[5,4-c]pyridine
CID 19979601
10-[4-(6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazol-2-yl)phenyl]phenoxazine
CID 118532619
10-[4-(6-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]phenoxazine
CID 177272837
10-(2-pyridin-4-ylphenyl)phenoxazine
CID 175717759
2-isoquinolin-5-yl-10-phenylphenoxazine
CID 122435685
2-[4-[3-[4-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-5-spiro[fluorene-9,9'-xanthene]-4-ylphenyl]phenyl]-[1,3]oxazolo[4,5-c]pyridine
CID 164783651
2-(1,3-benzoxazol-2-yl)-10-[3-(1,3-benzoxazol-2-yl)phenyl]-7-bromophenoxazine
CID 162785278

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=N/C=C\c1nc(-c2ccc(-c3ccc(-c4nc5ccncc5o4)cc3N3c4ccccc4Oc4ccccc43)c(N3c4ccccc4Oc4ccccc43)c2)oc1C.
What is the InChIKey of 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?
The InChIKey is QVVXGMLVRXRVHW-BZZOAKBMSA-N. The full InChI is InChI=1S/C49H32N6O4/c1-30-35(23-25-50-2)52-48(56-30)31-19-21-33(41(27-31)54-37-11-3-7-15-43(37)57-44-16-8-4-12-38(44)54)34-22-20-32(49-53-36-24-26-51-29-47(36)59-49)28-42(34)55-39-13-5-9-17-45(39)58-46-18-10-6-14-40(46)55/h3-29H,2H2,1H3/b25-23-.
What are the key properties of 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?
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 has a molecular weight of 768.83 g/mol, XLogP of 13.34, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 129150906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).