6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene

C68H61N3 — CID 169156372

About 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene

6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene (PubChem CID 169156372) has the molecular formula C68H61N3 and a molecular weight of 920.26 g/mol. Its IUPAC name is 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene.

Molecular Properties

• Compound Name: 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene
• PubChem CID: 169156372
• Molecular Formula: C68H61N3
• Molecular Weight: 920.26 g/mol
• Exact Mass: 919.49
• IUPAC Name: 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene
• SMILES: Cc1cc(C)c(-c2cc3c4c5c(ncc4n4c6c(-c7ccccc7)c7c8cc(C(C)(C)C)cc9c%10c%11c(ccc%10n(c7c(-c7ccccc7)c6c(c2)c34)c98)C2CCC%11CC2)C2(C)CCC5(C)CC2)c(C)c1
• InChI: InChI=1S/C68H61N3/c1-36-29-37(2)52(38(3)30-36)43-31-46-57-51(35-69-65-60(57)67(7)25-27-68(65,8)28-26-67)71-61(46)47(32-43)58-54(40-15-11-9-12-16-40)63-59(55(64(58)71)41-17-13-10-14-18-41)49-34-44(66(4,5)6)33-48-56-50(70(63)62(48)49)24-23-45-39-19-21-42(22-20-39)53(45)56/h9-18,23-24,29-35,39,42H,19-22,25-28H2,1-8H3
• InChIKey: UXRHWFYGMSTBEN-UHFFFAOYSA-N
• XLogP: 18.46
• TPSA: 21.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.26
LogP ≤ 5	18.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene?

The IUPAC name of 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene (CID 169156372) is 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene.

What is the SMILES notation for 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene?

The canonical SMILES for 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene is Cc1cc(C)c(-c2cc3c4c5c(ncc4n4c6c(-c7ccccc7)c7c8cc(C(C)(C)C)cc9c%10c%11c(ccc%10n(c7c(-c7ccccc7)c6c(c2)c34)c98)C2CCC%11CC2)C2(C)CCC5(C)CC2)c(C)c1.

What is the InChIKey of 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene?

The InChIKey is UXRHWFYGMSTBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H61N3/c1-36-29-37(2)52(38(3)30-36)43-31-46-57-51(35-69-65-60(57)67(7)25-27-68(65,8)28-26-67)71-61(46)47(32-43)58-54(40-15-11-9-12-16-40)63-59(55(64(58)71)41-17-13-10-14-18-41)49-34-44(66(4,5)6)33-48-56-50(70(63)62(48)49)24-23-45-39-19-21-42(22-20-39)53(45)56/h9-18,23-24,29-35,39,42H,19-22,25-28H2,1-8H3.

What are the key properties of 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene?

6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene has a molecular weight of 920.26 g/mol, XLogP of 18.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-17,20-dimethyl-10,29-diphenyl-25-(2,4,6-trimethylphenyl)-12,15,31-triazatridecacyclo[34.2.2.217,20.14,31.112,23.02,35.03,32.09,30.011,28.013,22.016,21.08,41.027,42]tetratetraconta-2(35),3(32),4(41),5,7,9(30),10,13,15,21,23(42),24,26,28,33-pentadecaene is sourced from PubChem (CID 169156372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).