10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine

C50H32N2O2 — CID 59220139

IUPAC10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
SMILESc1ccc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)cc1
InChIInChI=1S/C50H32N2O2/c1-3-15-33(16-4-1)49-37-29-27-35(51-41-19-7-11-23-45(41)53-46-24-12-8-20-42(46)51)31-39(37)50(34-17-5-2-6-18-34)40-32-36(28-30-38(40)49)52-43-21-9-13-25-47(43)54-48-26-14-10-22-44(48)52/h1-32H
InChIKeyWGIYPYYBWKIDQD-UHFFFAOYSA-N
MW692.82 g/mol
LogP14.48
Rot. Bonds4

About 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine

10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine (PubChem CID 59220139) has the molecular formula C50H32N2O2 and a molecular weight of 692.82 g/mol. Its IUPAC name is 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine.

Molecular Properties

Compound Name10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
PubChem CID59220139
Molecular FormulaC50H32N2O2
Molecular Weight692.82 g/mol
Exact Mass692.25
IUPAC Name10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
SMILESc1ccc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)cc1
InChIInChI=1S/C50H32N2O2/c1-3-15-33(16-4-1)49-37-29-27-35(51-41-19-7-11-23-45(41)53-46-24-12-8-20-42(46)51)31-39(37)50(34-17-5-2-6-18-34)40-32-36(28-30-38(40)49)52-43-21-9-13-25-47(43)54-48-26-14-10-22-44(48)52/h1-32H
InChIKeyWGIYPYYBWKIDQD-UHFFFAOYSA-N
XLogP14.48
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.82
LogP ≤ 514.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

10-[9-(3-naphthalen-2-ylphenyl)-6-phenoxazin-10-yl-10-phenylanthracen-2-yl]phenoxazine
CID 59219559
10-[6-phenoxazin-10-yl-9,10-bis(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59219992
10-[9-naphthalen-1-yl-6-phenoxazin-10-yl-10-(3-phenylnaphthalen-2-yl)anthracen-2-yl]phenoxazine
CID 59220509
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982
10-[9,10-bis(2-naphthalen-2-ylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59221101
10-[6-(21,21-dimethyl-10-thia-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaen-14-yl)-9,10-diphenylanthracen-2-yl]phenoxazine
CID 146213013
5-[6-(10,10-dimethylbenzo[b][1,4]benzazasilin-5-yl)-9,10-diphenylanthracen-2-yl]-10,10-dimethylbenzo[b][1,4]benzazasiline
CID 59220362
10-(9-naphthalen-1-yl-10-naphthalen-2-yl-6-phenoxazin-10-ylanthracen-2-yl)phenoxazine
CID 59219996
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-[9-(3,4-dimethylphenyl)-10-naphthalen-1-yl-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220321
10-[10-(3-phenylphenyl)phenanthro[9,10-b]pyrazin-7-yl]phenoxazine
CID 118912208
10-[9-(9,9-dimethylfluoren-2-yl)-10-(3,5-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59220091

Frequently Asked Questions

What is the IUPAC name of 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine?
The IUPAC name of 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine (CID 59220139) is 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine.
What is the SMILES notation for 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine?
The canonical SMILES for 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine is c1ccc(-c2c3ccc(N4c5ccccc5Oc5ccccc54)cc3c(-c3ccccc3)c3cc(N4c5ccccc5Oc5ccccc54)ccc23)cc1.
What is the InChIKey of 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine?
The InChIKey is WGIYPYYBWKIDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O2/c1-3-15-33(16-4-1)49-37-29-27-35(51-41-19-7-11-23-45(41)53-46-24-12-8-20-42(46)51)31-39(37)50(34-17-5-2-6-18-34)40-32-36(28-30-38(40)49)52-43-21-9-13-25-47(43)54-48-26-14-10-22-44(48)52/h1-32H.
What are the key properties of 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine?
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine has a molecular weight of 692.82 g/mol, XLogP of 14.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine is sourced from PubChem (CID 59220139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).