19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene

C54H62N4 — CID 169156430

About 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene

19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene (PubChem CID 169156430) has the molecular formula C54H62N4 and a molecular weight of 767.12 g/mol. Its IUPAC name is 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene.

Molecular Properties

• Compound Name: 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene
• PubChem CID: 169156430
• Molecular Formula: C54H62N4
• Molecular Weight: 767.12 g/mol
• Exact Mass: 766.50
• IUPAC Name: 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene
• SMILES: CC(C)(C)c1cc2c3cc4c(cc3n3c5cnc6c(c5c(c1)c23)C(C)(C)CCCC6(C)C)c1cc(C(C)(C)C)cc2c3c5c(ncc3n4c12)C(C)(C)CCCC5(C)C
• InChI: InChI=1S/C54H62N4/c1-49(2,3)29-21-33-31-25-38-32(26-37(31)57-39-27-55-47-43(41(39)35(23-29)45(33)57)51(7,8)17-15-19-53(47,11)12)34-22-30(50(4,5)6)24-36-42-40(58(38)46(34)36)28-56-48-44(42)52(9,10)18-16-20-54(48,13)14/h21-28H,15-20H2,1-14H3
• InChIKey: DQYIZTYCBWMLFP-UHFFFAOYSA-N
• XLogP: 14.85
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	767.12
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene?

The IUPAC name of 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene (CID 169156430) is 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene.

What is the SMILES notation for 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene?

The canonical SMILES for 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene is CC(C)(C)c1cc2c3cc4c(cc3n3c5cnc6c(c5c(c1)c23)C(C)(C)CCCC6(C)C)c1cc(C(C)(C)C)cc2c3c5c(ncc3n4c12)C(C)(C)CCCC5(C)C.

What is the InChIKey of 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene?

The InChIKey is DQYIZTYCBWMLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H62N4/c1-49(2,3)29-21-33-31-25-38-32(26-37(31)57-39-27-55-47-43(41(39)35(23-29)45(33)57)51(7,8)17-15-19-53(47,11)12)34-22-30(50(4,5)6)24-36-42-40(58(38)46(34)36)28-56-48-44(42)52(9,10)18-16-20-54(48,13)14/h21-28H,15-20H2,1-14H3.

What are the key properties of 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene?

19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene has a molecular weight of 767.12 g/mol, XLogP of 14.85, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 19,39-ditert-butyl-10,10,14,14,30,30,34,34-octamethyl-5,8,25,28-tetrazaundecacyclo[23.15.1.15,17.02,24.04,22.06,16.09,15.026,36.029,35.037,41.021,42]dotetraconta-1(41),2,4(22),6,8,15,17,19,21(42),23,26,28,35,37,39-pentadecaene is sourced from PubChem (CID 169156430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).