10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine

C27H22BNO — CID 168759465

IUPAC10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(B2c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C27H22BNO/c1-27(2)19-11-3-7-15-23(19)29(24-16-8-4-12-20(24)27)28-21-13-5-9-17-25(21)30-26-18-10-6-14-22(26)28/h3-18H,1-2H3
InChIKeyPIWKRGIDUAOCIB-UHFFFAOYSA-N
MW387.29 g/mol
LogP5.38
Rot. Bonds1

About 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine

10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine (PubChem CID 168759465) has the molecular formula C27H22BNO and a molecular weight of 387.29 g/mol. Its IUPAC name is 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine.

Molecular Properties

Compound Name10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine
PubChem CID168759465
Molecular FormulaC27H22BNO
Molecular Weight387.29 g/mol
Exact Mass387.18
IUPAC Name10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine
SMILESCC1(C)c2ccccc2N(B2c3ccccc3Oc3ccccc32)c2ccccc21
InChIInChI=1S/C27H22BNO/c1-27(2)19-11-3-7-15-23(19)29(24-16-8-4-12-20(24)27)28-21-13-5-9-17-25(21)30-26-18-10-6-14-22(26)28/h3-18H,1-2H3
InChIKeyPIWKRGIDUAOCIB-UHFFFAOYSA-N
XLogP5.38
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.29
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ylphenoxazine
CID 168759672
10-(9-benzo[b][1,4]benzoxaborinin-10-yldibenzothiophen-1-yl)-9,9-dimethylacridine
CID 155631157
10-benzo[b][1,4]benzoxaborinin-10-yl-2,8-diphenylphenoxazine
CID 168759701
17,27,27-trimethyl-9-oxa-2,20-diaza-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene
CID 174014827
10-(9,9-dimethyl-3,6-diphenylacridin-10-yl)-5-methylbenzo[b][1,4]benzazaborinine
CID 168759584
9,9,10-trimethylacridine
CID 610451
27,27-dimethyl-17-phenyl-9-oxa-2,20-diaza-1-boranonacyclo[17.13.1.12,10.120,28.03,8.015,33.021,26.014,35.032,34]pentatriaconta-3,5,7,10,12,14(35),15(33),16,18,21,23,25,28,30,32(34)-pentadecaene
CID 174014839
N-(9,9-dimethylacridin-10-yl)-N,9,9-trimethylacridin-10-amine
CID 145413543
10-[4-[4,6-bis[4-(9,9-dimethylacridin-10-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528556
10,10,14,14-tetramethyl-27-oxa-34-aza-3,21-diboradecacyclo[19.13.1.122,26.02,11.03,32.04,9.013,35.015,20.028,33.034,36]hexatriaconta-1,4,6,8,11,13(35),15,17,19,22(36),23,25,28,30,32-pentadecaene
CID 168813648
10-[3-(9,9-dimethylacridin-10-yl)-1,2,4-oxadiazol-5-yl]phenoxazine
CID 121245064
13-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-5,5-dimethyl-[1]benzofuro[3,2-c]acridine
CID 168759545

Frequently Asked Questions

What is the IUPAC name of 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine?
The IUPAC name of 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine (CID 168759465) is 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine.
What is the SMILES notation for 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine?
The canonical SMILES for 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine is CC1(C)c2ccccc2N(B2c3ccccc3Oc3ccccc32)c2ccccc21.
What is the InChIKey of 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine?
The InChIKey is PIWKRGIDUAOCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BNO/c1-27(2)19-11-3-7-15-23(19)29(24-16-8-4-12-20(24)27)28-21-13-5-9-17-25(21)30-26-18-10-6-14-22(26)28/h3-18H,1-2H3.
What are the key properties of 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine?
10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine has a molecular weight of 387.29 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzo[b][1,4]benzoxaborinin-10-yl-9,9-dimethylacridine is sourced from PubChem (CID 168759465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).