10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine

C24H16BNO2 — CID 168759672

IUPAC10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1B2N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H16BNO2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
InChIKeyINNWKWBXTMQJAF-UHFFFAOYSA-N
MW361.21 g/mol
LogP4.84
Rot. Bonds1

About 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine

10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine (PubChem CID 168759672) has the molecular formula C24H16BNO2 and a molecular weight of 361.21 g/mol. Its IUPAC name is 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine.

Molecular Properties

Compound Name10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine
PubChem CID168759672
Molecular FormulaC24H16BNO2
Molecular Weight361.21 g/mol
Exact Mass361.13
IUPAC Name10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1B2N1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H16BNO2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
InChIKeyINNWKWBXTMQJAF-UHFFFAOYSA-N
XLogP4.84
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine
CID 168759465
10-benzo[b][1,4]benzoxaborinin-10-yl-2,8-diphenylphenoxazine
CID 168759701
20-phenyl-8-oxa-20-aza-1-borapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-2,4,6,9,11,13(21),14,16,18-nonaene
CID 156761677
11-(8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8(13),9,11,15,17,19,21,23,25-dodecaene
CID 169052902
10-iodophenoxazine
CID 89024147
10-bromophenoxazine
CID 141423355
10-bromobenzo[b][1,4]benzoxaborinine
CID 91401182
N-methyl-1-phenoxazin-10-ylethanimine
CID 22754293
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
13-benzo[b][1,4]benzoxaborinin-10-yl-8-phenylindolo[3,2-a]phenothiazine
CID 168759644
5-phenyldibenzo-p-dioxin-5-ium
CID 163695245
10-[2-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenyl]-5-phenylbenzo[b][1,4]benzazaborinine
CID 165160537

Frequently Asked Questions

What is the IUPAC name of 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine?
The IUPAC name of 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine (CID 168759672) is 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine.
What is the SMILES notation for 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine?
The canonical SMILES for 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine is c1ccc2c(c1)Oc1ccccc1B2N1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine?
The InChIKey is INNWKWBXTMQJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16BNO2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H.
What are the key properties of 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine?
10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine has a molecular weight of 361.21 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[b][1,4]benzoxaborinin-10-ylphenoxazine is sourced from PubChem (CID 168759672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).