4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran

C79H74O2 — CID 140901791

About 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran

4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran (PubChem CID 140901791) has the molecular formula C79H74O2 and a molecular weight of 1055.46 g/mol. Its IUPAC name is 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran.

Molecular Properties

• Compound Name: 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran
• PubChem CID: 140901791
• Molecular Formula: C79H74O2
• Molecular Weight: 1055.46 g/mol
• Exact Mass: 1054.57
• IUPAC Name: 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran
• SMILES: CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2cccc5c2oc2ccccc25)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cccc4c2oc2ccccc24)c2ccccc2c1-3
• InChI: InChI=1S/C79H74O2/c1-7-9-11-13-15-25-41-79(42-26-16-14-12-10-8-2)67-47-63-65(77(3,4)69-43-59(49-29-17-19-33-53(49)73(63)69)57-37-27-35-55-51-31-21-23-39-71(51)80-75(55)57)45-61(67)62-46-66-64(48-68(62)79)74-54-34-20-18-30-50(54)60(44-70(74)78(66,5)6)58-38-28-36-56-52-32-22-24-40-72(52)81-76(56)58/h17-24,27-40,43-48H,7-16,25-26,41-42H2,1-6H3
• InChIKey: HDIMRYJQBYBVMN-UHFFFAOYSA-N
• XLogP: 23.51
• TPSA: 26.28 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 16
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1055.46
LogP ≤ 5	23.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran?

The IUPAC name of 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran (CID 140901791) is 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran.

What is the SMILES notation for 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran?

The canonical SMILES for 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran is CCCCCCCCC1(CCCCCCCC)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2cccc5c2oc2ccccc25)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cccc4c2oc2ccccc24)c2ccccc2c1-3.

What is the InChIKey of 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran?

The InChIKey is HDIMRYJQBYBVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H74O2/c1-7-9-11-13-15-25-41-79(42-26-16-14-12-10-8-2)67-47-63-65(77(3,4)69-43-59(49-29-17-19-33-53(49)73(63)69)57-37-27-35-55-51-31-21-23-39-71(51)80-75(55)57)45-61(67)62-46-66-64(48-68(62)79)74-54-34-20-18-30-50(54)60(44-70(74)78(66,5)6)58-38-28-36-56-52-32-22-24-40-72(52)81-76(56)58/h17-24,27-40,43-48H,7-16,25-26,41-42H2,1-6H3.

What are the key properties of 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran?

4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran has a molecular weight of 1055.46 g/mol, XLogP of 23.51, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(30-dibenzofuran-4-yl-5,5,33,33-tetramethyl-19,19-dioctyl-8-nonacyclo[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-hexadecaenyl)dibenzofuran is sourced from PubChem (CID 140901791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).