10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine

C30H18Br2N2O2 — CID 169004810

IUPAC10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine
SMILESBrc1cc(Br)c(N2c3ccccc3Oc3ccccc32)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C30H18Br2N2O2/c31-19-17-20(32)26(34-23-11-3-7-15-29(23)36-30-16-8-4-12-24(30)34)18-25(19)33-21-9-1-5-13-27(21)35-28-14-6-2-10-22(28)33/h1-18H
InChIKeyQMAXRFJEMZDXBL-UHFFFAOYSA-N
MW598.29 g/mol
LogP10.36
Rot. Bonds2

About 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine

10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine (PubChem CID 169004810) has the molecular formula C30H18Br2N2O2 and a molecular weight of 598.29 g/mol. Its IUPAC name is 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine.

Molecular Properties

Compound Name10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine
PubChem CID169004810
Molecular FormulaC30H18Br2N2O2
Molecular Weight598.29 g/mol
Exact Mass595.97
IUPAC Name10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine
SMILESBrc1cc(Br)c(N2c3ccccc3Oc3ccccc32)cc1N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C30H18Br2N2O2/c31-19-17-20(32)26(34-23-11-3-7-15-29(23)36-30-16-8-4-12-24(30)34)18-25(19)33-21-9-1-5-13-27(21)35-28-14-6-2-10-22(28)33/h1-18H
InChIKeyQMAXRFJEMZDXBL-UHFFFAOYSA-N
XLogP10.36
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.29
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

10-[4-bromo-3-(2-bromo-5-phenoxazin-10-ylphenyl)phenyl]phenoxazine
CID 177414701
10-bromophenoxazine
CID 141423355
10-[3-(4-phenoxazin-10-yl-3-pyridinyl)-4-pyridinyl]phenoxazine
CID 140910344
1-bromo-10-naphthalen-1-ylphenoxazine
CID 135279894
10-[4-(2-phenoxazin-10-yl-4-pyridinyl)-2-pyridinyl]phenoxazine
CID 122433785
ethane;10-phenylphenoxazine
CID 123756019
10-(3-methyl-5-phenoxazin-10-ylphenyl)phenoxazine
CID 145413452
10-(12-phenoxazin-10-yl-8,14-dithia-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaen-10-yl)phenoxazine
CID 123257995
10-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148203
11-phenyl-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 140893612
10-iodophenoxazine
CID 89024147
10-(2,6-dichlorophenyl)phenoxazine
CID 126602381

Frequently Asked Questions

What is the IUPAC name of 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine?
The IUPAC name of 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine (CID 169004810) is 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine.
What is the SMILES notation for 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine?
The canonical SMILES for 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine is Brc1cc(Br)c(N2c3ccccc3Oc3ccccc32)cc1N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine?
The InChIKey is QMAXRFJEMZDXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18Br2N2O2/c31-19-17-20(32)26(34-23-11-3-7-15-29(23)36-30-16-8-4-12-24(30)34)18-25(19)33-21-9-1-5-13-27(21)35-28-14-6-2-10-22(28)33/h1-18H.
What are the key properties of 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine?
10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine has a molecular weight of 598.29 g/mol, XLogP of 10.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2,4-dibromo-5-phenoxazin-10-ylphenyl)phenoxazine is sourced from PubChem (CID 169004810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).