15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene

C66H37BN2O4 — CID 171728238

About 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene

15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene (PubChem CID 171728238) has the molecular formula C66H37BN2O4 and a molecular weight of 932.84 g/mol. Its IUPAC name is 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene.

Molecular Properties

• Compound Name: 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene
• PubChem CID: 171728238
• Molecular Formula: C66H37BN2O4
• Molecular Weight: 932.84 g/mol
• Exact Mass: 932.28
• IUPAC Name: 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene
• SMILES: c1ccc(-c2ccc3c(oc4ccccc43)c2N2c3cc4oc5ccccc5c4cc3B3c4cc5c(cc4N(c4c(-c6ccccc6)ccc6c4oc4ccccc46)c4cccc2c43)oc2ccccc25)cc1
• InChI: InChI=1S/C66H37BN2O4/c1-3-16-38(17-4-1)40-30-32-46-42-20-7-13-28-58(42)72-65(46)63(40)68-52-24-15-25-53-62(52)67(50-34-48-44-22-9-11-26-56(44)70-60(48)36-54(50)68)51-35-49-45-23-10-12-27-57(45)71-61(49)37-55(51)69(53)64-41(39-18-5-2-6-19-39)31-33-47-43-21-8-14-29-59(43)73-66(47)64/h1-37H
• InChIKey: MVTACJFFYASQRG-UHFFFAOYSA-N
• XLogP: 16.70
• TPSA: 59.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.84
LogP ≤ 5	16.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene?

The IUPAC name of 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene (CID 171728238) is 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene.

What is the SMILES notation for 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene?

The canonical SMILES for 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene is c1ccc(-c2ccc3c(oc4ccccc43)c2N2c3cc4oc5ccccc5c4cc3B3c4cc5c(cc4N(c4c(-c6ccccc6)ccc6c4oc4ccccc46)c4cccc2c43)oc2ccccc25)cc1.

What is the InChIKey of 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene?

The InChIKey is MVTACJFFYASQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H37BN2O4/c1-3-16-38(17-4-1)40-30-32-46-42-20-7-13-28-58(42)72-65(46)63(40)68-52-24-15-25-53-62(52)67(50-34-48-44-22-9-11-26-56(44)70-60(48)36-54(50)68)51-35-49-45-23-10-12-27-57(45)71-61(49)37-55(51)69(53)64-41(39-18-5-2-6-19-39)31-33-47-43-21-8-14-29-59(43)73-66(47)64/h1-37H.

What are the key properties of 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene?

15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene has a molecular weight of 932.84 g/mol, XLogP of 16.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 15,21-bis(3-phenyldibenzofuran-4-yl)-11,25-dioxa-15,21-diaza-1-boranonacyclo[18.14.1.02,14.04,12.05,10.016,35.022,34.024,32.026,31]pentatriaconta-2,4(12),5,7,9,13,16(35),17,19,22,24(32),26,28,30,33-pentadecaene is sourced from PubChem (CID 171728238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).