2-bromo-4-chloro-10-phenylphenoxazine

C18H11BrClNO — CID 177083951

IUPAC2-bromo-4-chloro-10-phenylphenoxazine
SMILESClc1cc(Br)cc2c1Oc1ccccc1N2c1ccccc1
InChIInChI=1S/C18H11BrClNO/c19-12-10-14(20)18-16(11-12)21(13-6-2-1-3-7-13)15-8-4-5-9-17(15)22-18/h1-11H
InChIKeyQRQYURTXGQBKCY-UHFFFAOYSA-N
MW372.65 g/mol
LogP6.68
Rot. Bonds1

About 2-bromo-4-chloro-10-phenylphenoxazine

2-bromo-4-chloro-10-phenylphenoxazine (PubChem CID 177083951) has the molecular formula C18H11BrClNO and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-bromo-4-chloro-10-phenylphenoxazine.

Molecular Properties

Compound Name2-bromo-4-chloro-10-phenylphenoxazine
PubChem CID177083951
Molecular FormulaC18H11BrClNO
Molecular Weight372.65 g/mol
Exact Mass370.97
IUPAC Name2-bromo-4-chloro-10-phenylphenoxazine
SMILESClc1cc(Br)cc2c1Oc1ccccc1N2c1ccccc1
InChIInChI=1S/C18H11BrClNO/c19-12-10-14(20)18-16(11-12)21(13-6-2-1-3-7-13)15-8-4-5-9-17(15)22-18/h1-11H
InChIKeyQRQYURTXGQBKCY-UHFFFAOYSA-N
XLogP6.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.65
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;10-phenylphenoxazine
CID 123756019
3-bromo-2-phenoxy-N,N,10-triphenylphenoxazin-4-amine
CID 165381697
2,16,26-triphenyl-19-oxa-2,16,26-triaza-9-boraheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene
CID 165381504
CID 154595373
CID 154595373
10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
10-phenyl-3-[4-(3-phenylphenyl)phenyl]phenoxazine
CID 155186108
N,10-diphenylphenoxazin-2-amine
CID 155429744
26-phenyl-19-oxa-9,26-diazaheptacyclo[15.11.1.03,8.09,29.010,15.018,27.020,25]nonacosa-1(28),3,5,7,10,12,14,17(29),18(27),20,22,24-dodecaene-2,16-dione
CID 164983310
3-bromo-10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-N,2-N,4-N,4-N-tetraphenylphenoxazine-2,4-diamine
CID 165381560
10-(2,6-dichlorophenyl)phenoxazine
CID 126602381
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine
CID 169004810

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-10-phenylphenoxazine?
The IUPAC name of 2-bromo-4-chloro-10-phenylphenoxazine (CID 177083951) is 2-bromo-4-chloro-10-phenylphenoxazine.
What is the SMILES notation for 2-bromo-4-chloro-10-phenylphenoxazine?
The canonical SMILES for 2-bromo-4-chloro-10-phenylphenoxazine is Clc1cc(Br)cc2c1Oc1ccccc1N2c1ccccc1.
What is the InChIKey of 2-bromo-4-chloro-10-phenylphenoxazine?
The InChIKey is QRQYURTXGQBKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrClNO/c19-12-10-14(20)18-16(11-12)21(13-6-2-1-3-7-13)15-8-4-5-9-17(15)22-18/h1-11H.
What are the key properties of 2-bromo-4-chloro-10-phenylphenoxazine?
2-bromo-4-chloro-10-phenylphenoxazine has a molecular weight of 372.65 g/mol, XLogP of 6.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-10-phenylphenoxazine is sourced from PubChem (CID 177083951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).