bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene

C192H164B4N8O8 — CID 164951376

About bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene

bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene (PubChem CID 164951376) has the molecular formula C192H164B4N8O8 and a molecular weight of 2754.72 g/mol. Its IUPAC name is bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene.

Molecular Properties

• Compound Name: bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene
• PubChem CID: 164951376
• Molecular Formula: C192H164B4N8O8
• Molecular Weight: 2754.72 g/mol
• Exact Mass: 2753.30
• IUPAC Name: bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene
• SMILES: CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1cc(C(C)(C)C)ccc13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12.CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1cc(C(C)(C)C)ccc13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12.CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1ccccc13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12.CC(C)(C)c1ccc2c(c1)N(c1cccc3oc4ccccc4c13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12
• InChI: InChI=1S/2C50H45BN2O2.2C46H37BN2O2/c2*1-48(2,3)28-21-23-35-38(24-28)52(37-18-13-15-32-31-22-20-29(49(4,5)6)27-42(31)54-46(32)37)39-25-30(50(7,8)9)26-40-44(39)51(35)36-17-12-16-34-43-33-14-10-11-19-41(33)55-47(43)53(40)45(34)36;1-45(2,3)26-21-22-31-34(23-26)48(33-17-12-20-39-41(33)29-14-8-9-18-37(29)50-39)35-24-27(46(4,5)6)25-36-42(35)47(31)32-16-11-15-30-40-28-13-7-10-19-38(28)51-44(40)49(36)43(30)32;1-45(2,3)26-21-22-32-35(23-26)48(34-18-12-15-29-28-13-7-9-19-38(28)50-43(29)34)36-24-27(46(4,5)6)25-37-41(36)47(32)33-17-11-16-31-40-30-14-8-10-20-39(30)51-44(40)49(37)42(31)33/h2*10-27H,1-9H3;2*7-25H,1-6H3
• InChIKey: AORNJWOIYIBSHI-UHFFFAOYSA-N
• XLogP: 45.14
• TPSA: 137.80 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 4
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2754.72
LogP ≤ 5	45.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene?

The IUPAC name of bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene (CID 164951376) is bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene.

What is the SMILES notation for bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene?

The canonical SMILES for bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene is CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1cc(C(C)(C)C)ccc13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12.CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1cc(C(C)(C)C)ccc13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12.CC(C)(C)c1ccc2c(c1)N(c1cccc3c1oc1ccccc13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12.CC(C)(C)c1ccc2c(c1)N(c1cccc3oc4ccccc4c13)c1cc(C(C)(C)C)cc3c1B2c1cccc2c4c5ccccc5oc4n-3c12.

What is the InChIKey of bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene?

The InChIKey is AORNJWOIYIBSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H45BN2O2.2C46H37BN2O2/c2*1-48(2,3)28-21-23-35-38(24-28)52(37-18-13-15-32-31-22-20-29(49(4,5)6)27-42(31)54-46(32)37)39-25-30(50(7,8)9)26-40-44(39)51(35)36-17-12-16-34-43-33-14-10-11-19-41(33)55-47(43)53(40)45(34)36;1-45(2,3)26-21-22-31-34(23-26)48(33-17-12-20-39-41(33)29-14-8-9-18-37(29)50-39)35-24-27(46(4,5)6)25-36-42(35)47(31)32-16-11-15-30-40-28-13-7-10-19-38(28)51-44(40)49(36)43(30)32;1-45(2,3)26-21-22-32-35(23-26)48(34-18-12-15-29-28-13-7-9-19-38(28)50-43(29)34)36-24-27(46(4,5)6)25-37-41(36)47(32)33-17-11-16-31-40-30-14-8-10-20-39(30)51-44(40)49(37)42(31)33/h2*10-27H,1-9H3;2*7-25H,1-6H3.

What are the key properties of bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene?

bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene has a molecular weight of 2754.72 g/mol, XLogP of 45.14, 4 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis(6,12-ditert-butyl-9-(7-tert-butyldibenzofuran-4-yl)-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene);6,12-ditert-butyl-9-dibenzofuran-1-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene;6,12-ditert-butyl-9-dibenzofuran-4-yl-17-oxa-9,15-diaza-2-boraoctacyclo[13.13.1.12,10.03,8.016,24.018,23.025,29.014,30]triaconta-1(29),3(8),4,6,10,12,14(30),16(24),18,20,22,25,27-tridecaene is sourced from PubChem (CID 164951376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).