4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran

C76H54O2Si — CID 140736028

About 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran

4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran (PubChem CID 140736028) has the molecular formula C76H54O2Si and a molecular weight of 1027.35 g/mol. Its IUPAC name is 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran.

Molecular Properties

• Compound Name: 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran
• PubChem CID: 140736028
• Molecular Formula: C76H54O2Si
• Molecular Weight: 1027.35 g/mol
• Exact Mass: 1026.39
• IUPAC Name: 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran
• SMILES: CC1(C)c2cc3c(cc2-c2c1cc(-c1cccc4c1oc1c(-c5ccccc5)cccc14)c1ccccc21)[Si](C)(C)c1cc2c(cc1-3)C(C)(C)c1cc(-c3cccc4c3oc3c(-c5ccccc5)cccc34)c3ccccc3c1-2
• InChI: InChI=1S/C76H54O2Si/c1-75(2)63-39-59-60-40-64-62(70-50-28-16-14-26-48(50)58(38-66(70)76(64,3)4)56-36-20-34-54-52-32-18-30-46(72(52)78-74(54)56)44-23-11-8-12-24-44)42-68(60)79(5,6)67(59)41-61(63)69-49-27-15-13-25-47(49)57(37-65(69)75)55-35-19-33-53-51-31-17-29-45(71(51)77-73(53)55)43-21-9-7-10-22-43/h7-42H,1-6H3
• InChIKey: YRQUWIFPFDXJON-UHFFFAOYSA-N
• XLogP: 19.88
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.35
LogP ≤ 5	19.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran?

The IUPAC name of 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran (CID 140736028) is 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran.

What is the SMILES notation for 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran?

The canonical SMILES for 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran is CC1(C)c2cc3c(cc2-c2c1cc(-c1cccc4c1oc1c(-c5ccccc5)cccc14)c1ccccc21)[Si](C)(C)c1cc2c(cc1-3)C(C)(C)c1cc(-c3cccc4c3oc3c(-c5ccccc5)cccc34)c3ccccc3c1-2.

What is the InChIKey of 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran?

The InChIKey is YRQUWIFPFDXJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H54O2Si/c1-75(2)63-39-59-60-40-64-62(70-50-28-16-14-26-48(50)58(38-66(70)76(64,3)4)56-36-20-34-54-52-32-18-30-46(72(52)78-74(54)56)44-23-11-8-12-24-44)42-68(60)79(5,6)67(59)41-61(63)69-49-27-15-13-25-47(49)57(37-65(69)75)55-35-19-33-53-51-31-17-29-45(71(51)77-73(53)55)43-21-9-7-10-22-43/h7-42H,1-6H3.

What are the key properties of 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran?

4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran has a molecular weight of 1027.35 g/mol, XLogP of 19.88, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5,5,19,19,33,33-hexamethyl-30-(6-phenyldibenzofuran-4-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-phenyldibenzofuran is sourced from PubChem (CID 140736028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).