5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol

C91H70O7 — CID 51034164

About 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol

5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol (PubChem CID 51034164) has the molecular formula C91H70O7 and a molecular weight of 1275.55 g/mol. Its IUPAC name is 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol.

Molecular Properties

• Compound Name: 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
• PubChem CID: 51034164
• Molecular Formula: C91H70O7
• Molecular Weight: 1275.55 g/mol
• Exact Mass: 1274.51
• IUPAC Name: 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
• SMILES: Oc1c2cc(-c3ccccc3)cc1Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)C2
• InChI: InChI=1S/C91H70O7/c92-85-71-36-64(57-22-8-1-9-23-57)37-72(85)51-74-39-66(59-26-12-3-13-27-59)41-76(87(74)94)53-78-43-68(61-30-16-5-17-31-61)45-80(89(78)96)55-82-47-70(63-34-20-7-21-35-63)49-84(91(82)98)56-83-48-69(62-32-18-6-19-33-62)46-81(90(83)97)54-79-44-67(60-28-14-4-15-29-60)42-77(88(79)95)52-75-40-65(38-73(50-71)86(75)93)58-24-10-2-11-25-58/h1-49,92-98H,50-56H2
• InChIKey: KNKUPBODNPZVJK-UHFFFAOYSA-N
• XLogP: 20.74
• TPSA: 141.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1275.55
LogP ≤ 5	20.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?

The IUPAC name of 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol (CID 51034164) is 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol.

What is the SMILES notation for 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?

The canonical SMILES for 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol is Oc1c2cc(-c3ccccc3)cc1Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)Cc1cc(-c3ccccc3)cc(c1O)C2.

What is the InChIKey of 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?

The InChIKey is KNKUPBODNPZVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C91H70O7/c92-85-71-36-64(57-22-8-1-9-23-57)37-72(85)51-74-39-66(59-26-12-3-13-27-59)41-76(87(74)94)53-78-43-68(61-30-16-5-17-31-61)45-80(89(78)96)55-82-47-70(63-34-20-7-21-35-63)49-84(91(82)98)56-83-48-69(62-32-18-6-19-33-62)46-81(90(83)97)54-79-44-67(60-28-14-4-15-29-60)42-77(88(79)95)52-75-40-65(38-73(50-71)86(75)93)58-24-10-2-11-25-58/h1-49,92-98H,50-56H2.

What are the key properties of 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol?

5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol has a molecular weight of 1275.55 g/mol, XLogP of 20.74, 7 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5,11,17,23,29,35,41-heptakis-phenyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol is sourced from PubChem (CID 51034164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).