1-bromo-10-naphthalen-1-ylphenoxazine

C22H14BrNO — CID 135279894

IUPAC1-bromo-10-naphthalen-1-ylphenoxazine
SMILESBrc1cccc2c1N(c1cccc3ccccc13)c1ccccc1O2
InChIInChI=1S/C22H14BrNO/c23-17-10-6-14-21-22(17)24(19-11-3-4-13-20(19)25-21)18-12-5-8-15-7-1-2-9-16(15)18/h1-14H
InChIKeyKEAYMUFWGYQDSR-UHFFFAOYSA-N
MW388.26 g/mol
LogP7.18
Rot. Bonds1

About 1-bromo-10-naphthalen-1-ylphenoxazine

1-bromo-10-naphthalen-1-ylphenoxazine (PubChem CID 135279894) has the molecular formula C22H14BrNO and a molecular weight of 388.26 g/mol. Its IUPAC name is 1-bromo-10-naphthalen-1-ylphenoxazine.

Molecular Properties

Compound Name1-bromo-10-naphthalen-1-ylphenoxazine
PubChem CID135279894
Molecular FormulaC22H14BrNO
Molecular Weight388.26 g/mol
Exact Mass387.03
IUPAC Name1-bromo-10-naphthalen-1-ylphenoxazine
SMILESBrc1cccc2c1N(c1cccc3ccccc13)c1ccccc1O2
InChIInChI=1S/C22H14BrNO/c23-17-10-6-14-21-22(17)24(19-11-3-4-13-20(19)25-21)18-12-5-8-15-7-1-2-9-16(15)18/h1-14H
InChIKeyKEAYMUFWGYQDSR-UHFFFAOYSA-N
XLogP7.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.26
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

22-naphthalen-1-yl-1-sulfanylidene-8,14-dioxa-22-aza-1λ5-phosphahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 134317460
12,18-dioxa-1-azaheptacyclo[15.11.1.02,11.03,8.013,29.019,28.022,27]nonacosa-2(11),3,5,7,9,13(29),14,16,19(28),20,22,24,26-tridecaene
CID 129289170
10-(2,6-dichlorophenyl)phenoxazine
CID 126602381
10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine
CID 169004810
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenoxazine
CID 129290682
13,45-dioxa-20,26,32,38-tetraza-1,7,51-triboraheptadecacyclo[29.25.1.12,6.17,21.18,12.132,52.133,37.138,46.014,19.027,57.039,44.020,62.025,61.026,63.050,59.051,60.056,58]trihexaconta-2(63),3,5,8(62),9,11,14,16,18,21(61),22,24,27(57),28,30,33,35,37(60),39,41,43,46,48,50(59),52,54,56(58)-heptacosaene
CID 169037950
16-naphthalen-1-yl-12-phenyl-5-oxa-12,16-diazahexacyclo[15.7.1.02,15.04,13.06,11.021,25]pentacosa-1(24),2,4(13),6,8,10,14,17,19,21(25),22-undecaene
CID 160641409
2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
1-methyl-10-[2-methyl-3-(1-methylphenoxazin-10-yl)phenyl]phenoxazine
CID 170244430
5,10-dinaphthalen-1-ylbenzo[b][1,4]benzazaborinine
CID 58511426
10-[3,5-di(phenoxazin-10-yl)-2,4,6-tris(trifluoromethyl)phenyl]phenoxazine
CID 154940540
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701

Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-naphthalen-1-ylphenoxazine?
The IUPAC name of 1-bromo-10-naphthalen-1-ylphenoxazine (CID 135279894) is 1-bromo-10-naphthalen-1-ylphenoxazine.
What is the SMILES notation for 1-bromo-10-naphthalen-1-ylphenoxazine?
The canonical SMILES for 1-bromo-10-naphthalen-1-ylphenoxazine is Brc1cccc2c1N(c1cccc3ccccc13)c1ccccc1O2.
What is the InChIKey of 1-bromo-10-naphthalen-1-ylphenoxazine?
The InChIKey is KEAYMUFWGYQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrNO/c23-17-10-6-14-21-22(17)24(19-11-3-4-13-20(19)25-21)18-12-5-8-15-7-1-2-9-16(15)18/h1-14H.
What are the key properties of 1-bromo-10-naphthalen-1-ylphenoxazine?
1-bromo-10-naphthalen-1-ylphenoxazine has a molecular weight of 388.26 g/mol, XLogP of 7.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-naphthalen-1-ylphenoxazine is sourced from PubChem (CID 135279894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).