12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene

C72H52N2 — CID 146526383

About 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene

12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene (PubChem CID 146526383) has the molecular formula C72H52N2 and a molecular weight of 945.22 g/mol. Its IUPAC name is 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene.

Molecular Properties

• Compound Name: 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene
• PubChem CID: 146526383
• Molecular Formula: C72H52N2
• Molecular Weight: 945.22 g/mol
• Exact Mass: 944.41
• IUPAC Name: 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene
• SMILES: CC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4cc5c(cc4n3c12)-c1ccccc1C5(C)Cc1ccc2c(c1)-c1ccc3c(c1C2(C)C)c1cccc2c4c5c(ccc4n3c21)-c1ccccc1C5(C)C
• InChI: InChI=1S/C72H52N2/c1-69(2)53-23-11-9-17-40(53)49-35-61-51(33-57(49)69)44-19-14-20-45-52-34-58-50(36-62(52)74(61)67(44)45)41-18-10-13-25-56(41)72(58,7)37-38-26-29-55-48(32-38)43-28-31-60-64(66(43)71(55,5)6)47-22-15-21-46-63-59(73(60)68(46)47)30-27-42-39-16-8-12-24-54(39)70(3,4)65(42)63/h8-36H,37H2,1-7H3
• InChIKey: JAOZTVYRHPGJKH-UHFFFAOYSA-N
• XLogP: 18.43
• TPSA: 8.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	945.22
LogP ≤ 5	18.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene?

The IUPAC name of 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene (CID 146526383) is 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene.

What is the SMILES notation for 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene?

The canonical SMILES for 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene is CC1(C)c2ccccc2-c2cc3c(cc21)c1cccc2c4cc5c(cc4n3c12)-c1ccccc1C5(C)Cc1ccc2c(c1)-c1ccc3c(c1C2(C)C)c1cccc2c4c5c(ccc4n3c21)-c1ccccc1C5(C)C.

What is the InChIKey of 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene?

The InChIKey is JAOZTVYRHPGJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H52N2/c1-69(2)53-23-11-9-17-40(53)49-35-61-51(33-57(49)69)44-19-14-20-45-52-34-58-50(36-62(52)74(61)67(44)45)41-18-10-13-25-56(41)72(58,7)37-38-26-29-55-48(32-38)43-28-31-60-64(66(43)71(55,5)6)47-22-15-21-46-63-59(73(60)68(46)47)30-27-42-39-16-8-12-24-54(39)70(3,4)65(42)63/h8-36H,37H2,1-7H3.

What are the key properties of 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene?

12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene has a molecular weight of 945.22 g/mol, XLogP of 18.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12,22,22-tetramethyl-8-[(11,23,23-trimethyl-1-azanonacyclo[17.13.1.02,14.04,12.05,10.015,33.020,32.022,30.024,29]tritriaconta-2,4(12),5,7,9,13,15,17,19(33),20,22(30),24,26,28,31-pentadecaen-11-yl)methyl]-1-azanonacyclo[17.13.1.02,14.05,13.06,11.015,33.020,32.021,29.023,28]tritriaconta-2(14),3,5(13),6(11),7,9,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene is sourced from PubChem (CID 146526383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).