5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine

C30H22BNO — CID 140842842

IUPAC5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(Oc2ccccc2N2B(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H22BNO/c1-3-13-23(14-4-1)31-27-19-9-7-17-25(27)26-18-8-10-20-28(26)32(31)29-21-11-12-22-30(29)33-24-15-5-2-6-16-24/h1-22H
InChIKeyAMRDEAWRNVJQGS-UHFFFAOYSA-N
MW423.32 g/mol
LogP6.40
Rot. Bonds4

About 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine

5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine (PubChem CID 140842842) has the molecular formula C30H22BNO and a molecular weight of 423.32 g/mol. Its IUPAC name is 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine.

Molecular Properties

Compound Name5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine
PubChem CID140842842
Molecular FormulaC30H22BNO
Molecular Weight423.32 g/mol
Exact Mass423.18
IUPAC Name5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(Oc2ccccc2N2B(c3ccccc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C30H22BNO/c1-3-13-23(14-4-1)31-27-19-9-7-17-25(27)26-18-8-10-20-28(26)32(31)29-21-11-12-22-30(29)33-24-15-5-2-6-16-24/h1-22H
InChIKeyAMRDEAWRNVJQGS-UHFFFAOYSA-N
XLogP6.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.32
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine 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

2-methoxy-5,6-diphenylbenzo[c][1,2]benzazaborinine
CID 148892654
5,6-diphenylnaphtho[2,3-c][1,2]benzazaborinine
CID 140842799
1,4-bis(2-phenoxyphenyl)benzene
CID 57271203
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
9-carbazol-9-yl-5,6-diphenylbenzo[c][1,2]benzazaborinine;5-(4-carbazol-9-ylphenyl)-6-phenylbenzo[c][1,2]benzazaborinine;6-(4-carbazol-9-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
CID 157254105
1-(2-phenoxyphenyl)-2-(2-phenylphenoxy)benzene
CID 54513484
5-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848251
11-(1-aza-14-borahexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-2,4,6,8,10,12,15,17,19,21,23,25-dodecaen-12-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 140834937
2,13,14,23-tetraphenyl-2,14,23-triaza-1,13-diborahexacyclo[17.3.1.03,8.09,22.012,21.015,20]tricosa-3,5,7,9(22),10,12(21),15(20),16,18-nonaene
CID 157443069
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
8,14-bis(2,6-diphenylphenyl)-11-phenoxy-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 171416496
6-phenyl-5-[3-(3-phenylcarbazol-9-yl)phenyl]benzo[c][1,2]benzazaborinine
CID 168848168

Frequently Asked Questions

What is the IUPAC name of 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine?
The IUPAC name of 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine (CID 140842842) is 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine.
What is the SMILES notation for 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine?
The canonical SMILES for 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine is c1ccc(Oc2ccccc2N2B(c3ccccc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine?
The InChIKey is AMRDEAWRNVJQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22BNO/c1-3-13-23(14-4-1)31-27-19-9-7-17-25(27)26-18-8-10-20-28(26)32(31)29-21-11-12-22-30(29)33-24-15-5-2-6-16-24/h1-22H.
What are the key properties of 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine?
5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine has a molecular weight of 423.32 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenoxyphenyl)-6-phenylbenzo[c][1,2]benzazaborinine is sourced from PubChem (CID 140842842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).