10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine

C36H22Br2N2O2 — CID 177414701

IUPAC10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
SMILESBrc1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1cc(N2c3ccccc3Oc3ccccc32)ccc1Br
InChIInChI=1S/C36H22Br2N2O2/c37-27-19-17-23(39-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)39)21-25(27)26-22-24(18-20-28(26)38)40-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)40/h1-22H
InChIKeyIIYQFQFJTVPJAM-UHFFFAOYSA-N
MW674.39 g/mol
LogP12.03
Rot. Bonds3

About 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine

10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine (PubChem CID 177414701) has the molecular formula C36H22Br2N2O2 and a molecular weight of 674.39 g/mol. Its IUPAC name is 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
PubChem CID177414701
Molecular FormulaC36H22Br2N2O2
Molecular Weight674.39 g/mol
Exact Mass672.00
IUPAC Name10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
SMILESBrc1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1cc(N2c3ccccc3Oc3ccccc32)ccc1Br
InChIInChI=1S/C36H22Br2N2O2/c37-27-19-17-23(39-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)39)21-25(27)26-22-24(18-20-28(26)38)40-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)40/h1-22H
InChIKeyIIYQFQFJTVPJAM-UHFFFAOYSA-N
XLogP12.03
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.39
LogP ≤ 512.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine
CID 169004810
3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
CID 146495452
CID 146495452
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
CID 58251164
ethane;10-phenylphenoxazine
CID 123756019
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-(7-phenoxazin-10-yl-9,10-diphenylanthracen-2-yl)phenoxazine
CID 59220139

Frequently Asked Questions

What is the IUPAC name of 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine (CID 177414701) is 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine is Brc1ccc(N2c3ccccc3Oc3ccccc32)cc1-c1cc(N2c3ccccc3Oc3ccccc32)ccc1Br.
What is the InChIKey of 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine?
The InChIKey is IIYQFQFJTVPJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22Br2N2O2/c37-27-19-17-23(39-29-9-1-5-13-33(29)41-34-14-6-2-10-30(34)39)21-25(27)26-22-24(18-20-28(26)38)40-31-11-3-7-15-35(31)42-36-16-8-4-12-32(36)40/h1-22H.
What are the key properties of 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine?
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine has a molecular weight of 674.39 g/mol, XLogP of 12.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 177414701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).