tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene

C60H36 — CID 101434081

About tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene

tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene (PubChem CID 101434081) has the molecular formula C60H36 and a molecular weight of 756.95 g/mol. Its IUPAC name is tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene.

Molecular Properties

• Compound Name: tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene
• PubChem CID: 101434081
• Molecular Formula: C60H36
• Molecular Weight: 756.95 g/mol
• Exact Mass: 756.28
• IUPAC Name: tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene
• SMILES: c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1ccc%10cc%11ccc8cc9ccc6cc7ccc4cc5ccc2cc3ccc%12c1
• InChI: InChI=1S/C60H36/c1-2-38-26-42-9-11-49-32-51-16-18-55-35-60-24-23-58-33-53-14-13-48-30-46-7-5-40-25-37(1)39-3-4-44(48)29-50(46)15-17-54(58)34-56(53)21-22-59(55)36-57(60)20-19-52(49)31-47(51)8-6-41(38)28-45(42)12-10-43(40)27-39/h1-36H/b2-1-,4-3-,7-5+,8-6-,11-9+,12-10?,14-13-,17-15+,18-16+,20-19-,22-21+,24-23-,37-1-,38-2+,39-3+,40-5-,41-6+,42-9-,43-10+,44-4-,45-12?,46-7-,47-8-,48-13+,49-11-,50-15+,51-16+,52-19-,53-14-,54-17-,55-18+,56-21-,57-20-,58-23+,59-22+,60-24-
• InChIKey: CJEYYTCJTXSYGF-QUTYHJAKSA-N
• XLogP: 17.21
• TPSA: 0.00 Ų
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.95
LogP ≤ 5	17.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Frequently Asked Questions

What is the IUPAC name of tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene?

The IUPAC name of tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene (CID 101434081) is tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene.

What is the SMILES notation for tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene?

The canonical SMILES for tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene is c1cc2cc3ccc4cc5ccc6cc7ccc8cc9ccc%10cc%11ccc%12cc1c1ccc%10cc%11ccc8cc9ccc6cc7ccc4cc5ccc2cc3ccc%12c1.

What is the InChIKey of tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene?

The InChIKey is CJEYYTCJTXSYGF-QUTYHJAKSA-N. The full InChI is InChI=1S/C60H36/c1-2-38-26-42-9-11-49-32-51-16-18-55-35-60-24-23-58-33-53-14-13-48-30-46-7-5-40-25-37(1)39-3-4-44(48)29-50(46)15-17-54(58)34-56(53)21-22-59(55)36-57(60)20-19-52(49)31-47(51)8-6-41(38)28-45(42)12-10-43(40)27-39/h1-36H/b2-1-,4-3-,7-5+,8-6-,11-9+,12-10?,14-13-,17-15+,18-16+,20-19-,22-21+,24-23-,37-1-,38-2+,39-3+,40-5-,41-6+,42-9-,43-10+,44-4-,45-12?,46-7-,47-8-,48-13+,49-11-,50-15+,51-16+,52-19-,53-14-,54-17-,55-18+,56-21-,57-20-,58-23+,59-22+,60-24-.

What are the key properties of tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene?

tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene has a molecular weight of 756.95 g/mol, XLogP of 17.21, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for tridecacyclo[29.27.1.12,30.05,36.07,34.010,41.012,39.015,46.017,44.020,51.022,49.025,56.027,54]hexaconta-1(59),2(60),3,5,7(34),8,10,12(39),13,15(46),16,18,20,22(49),23,25(56),26,28,30,32,35,37,40,42,44,47,50,52,54,57-triacontaene is sourced from PubChem (CID 101434081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).