10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine

C25H19BO — CID 164748077

IUPAC10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine
SMILESCc1ccccc1-c1ccccc1B1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H19BO/c1-18-10-2-3-11-19(18)20-12-4-5-13-21(20)26-22-14-6-8-16-24(22)27-25-17-9-7-15-23(25)26/h2-17H,1H3
InChIKeyGPOVFTZWCNYVEC-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.28
Rot. Bonds2

About 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine

10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine (PubChem CID 164748077) has the molecular formula C25H19BO and a molecular weight of 346.24 g/mol. Its IUPAC name is 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine.

Molecular Properties

Compound Name10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine
PubChem CID164748077
Molecular FormulaC25H19BO
Molecular Weight346.24 g/mol
Exact Mass346.15
IUPAC Name10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine
SMILESCc1ccccc1-c1ccccc1B1c2ccccc2Oc2ccccc21
InChIInChI=1S/C25H19BO/c1-18-10-2-3-11-19(18)20-12-4-5-13-21(20)26-22-14-6-8-16-24(22)27-25-17-9-7-15-23(25)26/h2-17H,1H3
InChIKeyGPOVFTZWCNYVEC-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-[2-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenyl]-5-phenylbenzo[b][1,4]benzazaborinine
CID 165160537
11-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)-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-nonaene
CID 165160530
16-(2-methylphenyl)-4-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 123296601
5-(2-methylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;5,11,16-tris(2-methylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 160720766
6,11-dimethyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene
CID 174071869
2-methyl-10-phenylbenzo[b][1,4]benzoxaborinine
CID 177073473
N,N-bis(2,6-dimethylphenyl)-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-amine
CID 156666846
11-[2-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-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-nonaene
CID 153293300
10-[2,4-dimethyl-6-(trideuteriomethyl)phenyl]benzo[b][1,4]benzoxaborinine
CID 167555800
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
5-[2-(2-benzo[b][1,4]benzoxaborinin-10-ylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 165160516
10,18-bis(2-methylphenyl)-4-phenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5-(2-methylphenyl)-10,17-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;17-(2-methylphenyl)-5,10-diphenyl-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;4,10,18-tris(2-methylphenyl)-8,14-dioxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
CID 157350035

Frequently Asked Questions

What is the IUPAC name of 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine?
The IUPAC name of 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine (CID 164748077) is 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine.
What is the SMILES notation for 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine?
The canonical SMILES for 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine is Cc1ccccc1-c1ccccc1B1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine?
The InChIKey is GPOVFTZWCNYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BO/c1-18-10-2-3-11-19(18)20-12-4-5-13-21(20)26-22-14-6-8-16-24(22)27-25-17-9-7-15-23(25)26/h2-17H,1H3.
What are the key properties of 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine?
10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine has a molecular weight of 346.24 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[2-(2-methylphenyl)phenyl]benzo[b][1,4]benzoxaborinine is sourced from PubChem (CID 164748077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).