26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]

C86H78O2 — CID 167048761

About 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]

26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene] (PubChem CID 167048761) has the molecular formula C86H78O2 and a molecular weight of 1143.57 g/mol. Its IUPAC name is 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene].

Molecular Properties

• Compound Name: 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]
• PubChem CID: 167048761
• Molecular Formula: C86H78O2
• Molecular Weight: 1143.57 g/mol
• Exact Mass: 1142.60
• IUPAC Name: 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]
• SMILES: CC(C)(C)c1ccc(-c2cc3cc(c2)-c2cccc(c2)C2(c4cccc(c4)-c4cc(-c5ccc(C(C)(C)C)cc5)cc(c4)-c4ccc(C(C)(C)C)cc4C(C)(C)c4ccc-3cc4)c3cc4c(cc3-c3c2ccc2c3-c3ccccc3C2(C)C)OCO4)cc1
• InChI: InChI=1S/C86H78O2/c1-81(2,3)63-30-24-52(25-31-63)57-40-58-42-60(41-57)55-18-16-20-67(46-55)86(74-39-38-73-79(70-22-14-15-23-72(70)85(73,12)13)80(74)71-49-77-78(50-76(71)86)88-51-87-77)68-21-17-19-56(47-68)61-43-59(53-26-32-64(33-27-53)82(4,5)6)44-62(45-61)69-37-36-66(83(7,8)9)48-75(69)84(10,11)65-34-28-54(58)29-35-65/h14-50H,51H2,1-13H3
• InChIKey: BHRSWFHVQYOFSZ-UHFFFAOYSA-N
• XLogP: 22.62
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1143.57
LogP ≤ 5	22.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]?

The IUPAC name of 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene] (CID 167048761) is 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene].

What is the SMILES notation for 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]?

The canonical SMILES for 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene] is CC(C)(C)c1ccc(-c2cc3cc(c2)-c2cccc(c2)C2(c4cccc(c4)-c4cc(-c5ccc(C(C)(C)C)cc5)cc(c4)-c4ccc(C(C)(C)C)cc4C(C)(C)c4ccc-3cc4)c3cc4c(cc3-c3c2ccc2c3-c3ccccc3C2(C)C)OCO4)cc1.

What is the InChIKey of 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]?

The InChIKey is BHRSWFHVQYOFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H78O2/c1-81(2,3)63-30-24-52(25-31-63)57-40-58-42-60(41-57)55-18-16-20-67(46-55)86(74-39-38-73-79(70-22-14-15-23-72(70)85(73,12)13)80(74)71-49-77-78(50-76(71)86)88-51-87-77)68-21-17-19-56(47-68)61-43-59(53-26-32-64(33-27-53)82(4,5)6)44-62(45-61)69-37-36-66(83(7,8)9)48-75(69)84(10,11)65-34-28-54(58)29-35-65/h14-50H,51H2,1-13H3.

What are the key properties of 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene]?

26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene] has a molecular weight of 1143.57 g/mol, XLogP of 22.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 26'-tert-butyl-4',20'-bis(4-tert-butylphenyl)-9,9,29',29'-tetramethylspiro[18,20-dioxahexacyclo[11.10.0.02,10.03,8.015,23.017,21]tricosa-1(13),2(10),3,5,7,11,15,17(21),22-nonaene-14,12'-heptacyclo[28.2.2.12,6.17,11.113,17.118,22.023,28]octatriaconta-1(32),2,4,6(38),7(37),8,10,13,15,17(36),18(35),19,21,23(28),24,26,30,33-octadecaene] is sourced from PubChem (CID 167048761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).