6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine

C36H24BNO — CID 140842833

IUPAC6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(N2B(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C36H24BNO/c1-2-11-27(12-3-1)38-33-18-8-5-14-30(33)29-13-4-7-17-32(29)37(38)26-23-21-25(22-24-26)28-16-10-20-35-36(28)31-15-6-9-19-34(31)39-35/h1-24H
InChIKeyYSARHKRLEPFNJM-UHFFFAOYSA-N
MW497.41 g/mol
LogP8.18
Rot. Bonds3

About 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine

6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine (PubChem CID 140842833) has the molecular formula C36H24BNO and a molecular weight of 497.41 g/mol. Its IUPAC name is 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine.

Molecular Properties

Compound Name6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
PubChem CID140842833
Molecular FormulaC36H24BNO
Molecular Weight497.41 g/mol
Exact Mass497.20
IUPAC Name6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine
SMILESc1ccc(N2B(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C36H24BNO/c1-2-11-27(12-3-1)38-33-18-8-5-14-30(33)29-13-4-7-17-32(29)37(38)26-23-21-25(22-24-26)28-16-10-20-35-36(28)31-15-6-9-19-34(31)39-35/h1-24H
InChIKeyYSARHKRLEPFNJM-UHFFFAOYSA-N
XLogP8.18
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.41
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(4-dibenzofuran-1-ylphenyl)-5-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

5-[3-(4-dibenzofuran-2-ylcarbazol-9-yl)phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848157
8-(3-dibenzofuran-1-ylphenyl)-14-phenyl-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 171740521
3,5,6-triphenylbenzo[c][1,2]benzazaborinine
CID 140842797
6-phenyl-5-[3-(3-phenylcarbazol-9-yl)phenyl]benzo[c][1,2]benzazaborinine
CID 168848168
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
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
5-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848251
33-phenyl-30-oxa-15,33-diaza-2-boradecacyclo[20.18.0.02,15.03,8.09,14.016,21.023,31.024,29.032,40.034,39]tetraconta-1(40),3,5,7,9,11,13,16,18,20,22,24,26,28,31,34,36,38-octadecaene
CID 140834924
4-dibenzofuran-1-yl-N-methyl-N-phenylaniline
CID 134561321
5-[3-[3-[3-(2,6-diphenylphenyl)carbazol-9-yl]carbazol-9-yl]phenyl]-6-phenylbenzo[c][1,2]benzazaborinine
CID 168848142
4,18-di(dibenzofuran-1-yl)-11-phenyl-8,14-bis(2-phenylphenyl)-8,14-diaza-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 171399750

Frequently Asked Questions

What is the IUPAC name of 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
The IUPAC name of 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine (CID 140842833) is 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine.
What is the SMILES notation for 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
The canonical SMILES for 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine is c1ccc(N2B(c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
The InChIKey is YSARHKRLEPFNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24BNO/c1-2-11-27(12-3-1)38-33-18-8-5-14-30(33)29-13-4-7-17-32(29)37(38)26-23-21-25(22-24-26)28-16-10-20-35-36(28)31-15-6-9-19-34(31)39-35/h1-24H.
What are the key properties of 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine?
6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine has a molecular weight of 497.41 g/mol, XLogP of 8.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-dibenzofuran-1-ylphenyl)-5-phenylbenzo[c][1,2]benzazaborinine is sourced from PubChem (CID 140842833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).