10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine

C27H23BN2 — CID 168759683

IUPAC10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine
SMILESCc1cccc2c1N(B1c3ccccc3-c3ccccc31)c1c(C)cccc1N2C
InChIInChI=1S/C27H23BN2/c1-18-10-8-16-24-26(18)30(27-19(2)11-9-17-25(27)29(24)3)28-22-14-6-4-12-20(22)21-13-5-7-15-23(21)28/h4-17H,1-3H3
InChIKeyYTQUUTPLZBIVLP-UHFFFAOYSA-N
MW386.31 g/mol
LogP5.31
Rot. Bonds1

About 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine

10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine (PubChem CID 168759683) has the molecular formula C27H23BN2 and a molecular weight of 386.31 g/mol. Its IUPAC name is 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine.

Molecular Properties

Compound Name10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine
PubChem CID168759683
Molecular FormulaC27H23BN2
Molecular Weight386.31 g/mol
Exact Mass386.20
IUPAC Name10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine
SMILESCc1cccc2c1N(B1c3ccccc3-c3ccccc31)c1c(C)cccc1N2C
InChIInChI=1S/C27H23BN2/c1-18-10-8-16-24-26(18)30(27-19(2)11-9-17-25(27)29(24)3)28-22-14-6-4-12-20(22)21-13-5-7-15-23(21)28/h4-17H,1-3H3
InChIKeyYTQUUTPLZBIVLP-UHFFFAOYSA-N
XLogP5.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.31
LogP ≤ 55.31
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

1,5,6,10-tetramethylphenazine
CID 20660475
5,23-dimethyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene;ethane
CID 144588184
19-methyl-21-(1,4,5-trimethylpyridin-1-ium-2-yl)-14,21-diaza-1-borapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-2,4,6,8,10,12,15,17,19-nonaene
CID 160579543
1,3-bis(2,6-dimethylphenyl)-1,3,2-benzodiazaborol-2-amine
CID 177454514
10-(2,6-diphenylphenyl)-5-methylbenzo[b][1,4]benzazaborinine
CID 165160574
27-methyl-20,27-diaza-1-borahexacyclo[18.7.0.02,7.08,13.014,19.021,26]heptacosa-2,4,6,8,10,12,14,16,18,21,23,25-dodecaene
CID 166589226
1,5,10-trimethyl-7-(5,6,10-trimethylphenazin-2-yl)phenazine
CID 70011379
5,23-diphenyl-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21(26),22,24-dodecaene
CID 90069786
5-[3,5-bis(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-dodecaen-10-yl)phenyl]-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8,10,12,15,17,19,21,23,25-dodecaene
CID 140834979
5-(5,5-dimethylbenzo[b][1,4]benzosilaborinin-10-yl)-10,10-dimethyl-4-phenylbenzo[b][1,4]benzazasiline
CID 168759753
5,23-diphenyl-11-(3-phenylphenyl)-1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2(7),3,5,8(13),9,11,15,17,19,21(26),22,24-dodecaene
CID 90069713
11-(4-phenylphenyl)-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 90069681

Frequently Asked Questions

What is the IUPAC name of 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine?
The IUPAC name of 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine (CID 168759683) is 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine.
What is the SMILES notation for 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine?
The canonical SMILES for 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine is Cc1cccc2c1N(B1c3ccccc3-c3ccccc31)c1c(C)cccc1N2C.
What is the InChIKey of 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine?
The InChIKey is YTQUUTPLZBIVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BN2/c1-18-10-8-16-24-26(18)30(27-19(2)11-9-17-25(27)29(24)3)28-22-14-6-4-12-20(22)21-13-5-7-15-23(21)28/h4-17H,1-3H3.
What are the key properties of 10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine?
10-benzo[b][1]benzoborol-5-yl-1,5,9-trimethylphenazine has a molecular weight of 386.31 g/mol, XLogP of 5.31, 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]benzoborol-5-yl-1,5,9-trimethylphenazine is sourced from PubChem (CID 168759683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).