4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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

C77H66O2 — CID 122519399

About 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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 122519399) has the molecular formula C77H66O2 and a molecular weight of 1023.37 g/mol. Its IUPAC name is 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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: 122519399
• Molecular Formula: C77H66O2
• Molecular Weight: 1023.37 g/mol
• Exact Mass: 1022.51
• IUPAC Name: 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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: CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2cccc5c2oc2c(C6CCCCC6)cccc25)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cccc4c2oc2c(C5CCCCC5)cccc24)c2ccccc2c1-3
• InChI: InChI=1S/C77H66O2/c1-75(2)63-41-61-65(76(3,4)67-37-57(47-25-13-15-27-49(47)69(61)67)55-35-19-33-53-51-31-17-29-45(71(51)78-73(53)55)43-21-9-7-10-22-43)39-59(63)60-40-66-62(42-64(60)75)70-50-28-16-14-26-48(50)58(38-68(70)77(66,5)6)56-36-20-34-54-52-32-18-30-46(72(52)79-74(54)56)44-23-11-8-12-24-44/h13-20,25-44H,7-12,21-24H2,1-6H3
• InChIKey: AXENDFNJDVCFGF-UHFFFAOYSA-N
• XLogP: 22.14
• 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	1023.37
LogP ≤ 5	22.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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 122519399) is 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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 CC1(C)c2cc3c(cc2-c2cc4c(cc21)-c1c(cc(-c2cccc5c2oc2c(C6CCCCC6)cccc25)c2ccccc12)C4(C)C)C(C)(C)c1cc(-c2cccc4c2oc2c(C5CCCCC5)cccc24)c2ccccc2c1-3.

What is the InChIKey of 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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 AXENDFNJDVCFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H66O2/c1-75(2)63-41-61-65(76(3,4)67-37-57(47-25-13-15-27-49(47)69(61)67)55-35-19-33-53-51-31-17-29-45(71(51)78-73(53)55)43-21-9-7-10-22-43)39-59(63)60-40-66-62(42-64(60)75)70-50-28-16-14-26-48(50)58(38-68(70)77(66,5)6)56-36-20-34-54-52-32-18-30-46(72(52)79-74(54)56)44-23-11-8-12-24-44/h13-20,25-44H,7-12,21-24H2,1-6H3.

What are the key properties of 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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 1023.37 g/mol, XLogP of 22.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclohexyl-6-[30-(6-cyclohexyldibenzofuran-4-yl)-5,5,19,19,33,33-hexamethyl-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 122519399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).