35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene

C48H26B2F2N2OS — CID 164813742

About 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene

35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene (PubChem CID 164813742) has the molecular formula C48H26B2F2N2OS and a molecular weight of 738.44 g/mol. Its IUPAC name is 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene.

Molecular Properties

• Compound Name: 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene
• PubChem CID: 164813742
• Molecular Formula: C48H26B2F2N2OS
• Molecular Weight: 738.44 g/mol
• Exact Mass: 738.19
• IUPAC Name: 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene
• SMILES: Fc1cccc(F)c1N1c2ccccc2B2c3ccccc3N3c4ccccc4B4c5ccccc5Sc5c4c3c2c1c5-c1cccc2oc3ccccc3c12
• InChI: InChI=1S/C48H26B2F2N2OS/c51-33-19-12-20-34(52)45(33)54-37-23-8-4-17-31(37)49-29-15-2-6-21-35(29)53-36-22-7-3-16-30(36)50-32-18-5-10-26-40(32)56-48-42(46(54)43(49)47(53)44(48)50)28-14-11-25-39-41(28)27-13-1-9-24-38(27)55-39/h1-26H
• InChIKey: SVPASNOMOQZBHY-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 19.62 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.44
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene?

The IUPAC name of 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene (CID 164813742) is 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene.

What is the SMILES notation for 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene?

The canonical SMILES for 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene is Fc1cccc(F)c1N1c2ccccc2B2c3ccccc3N3c4ccccc4B4c5ccccc5Sc5c4c3c2c1c5-c1cccc2oc3ccccc3c12.

What is the InChIKey of 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene?

The InChIKey is SVPASNOMOQZBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H26B2F2N2OS/c51-33-19-12-20-34(52)45(33)54-37-23-8-4-17-31(37)49-29-15-2-6-21-35(29)53-36-22-7-3-16-30(36)50-32-18-5-10-26-40(32)56-48-42(46(54)43(49)47(53)44(48)50)28-14-11-25-39-41(28)27-13-1-9-24-38(27)55-39/h1-26H.

What are the key properties of 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene?

35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene has a molecular weight of 738.44 g/mol, XLogP of 8.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 35-dibenzofuran-1-yl-30-(2,6-difluorophenyl)-2-thia-16,30-diaza-9,23-diboranonacyclo[29.3.1.03,8.09,34.010,15.016,33.017,22.023,32.024,29]pentatriaconta-1(34),3,5,7,10,12,14,17,19,21,24,26,28,31(35),32-pentadecaene is sourced from PubChem (CID 164813742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).