19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene

C171H115N7 — CID 161426585

About 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene

19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene (PubChem CID 161426585) has the molecular formula C171H115N7 and a molecular weight of 2267.85 g/mol. Its IUPAC name is 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene.

Molecular Properties

• Compound Name: 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene
• PubChem CID: 161426585
• Molecular Formula: C171H115N7
• Molecular Weight: 2267.85 g/mol
• Exact Mass: 2265.92
• IUPAC Name: 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene
• SMILES: CC1(C)c2ccccc2-c2ccc3c(c21)c1c2ccccc2cc2c4ccccc4n3c21.CC1(C)c2ccccc2-c2ccc3c(c21)c1cc2c(c4ccccc4n2-c2ccccc2)c2c4ccccc4n3c12.CC1(C)c2ccccc2-c2ccc3c(c21)c1cc2c4ccccc4n(-c4ccccc4)c2c2c4ccccc4n3c12.CC1(C)c2ccccc2-c2ccc3c(c21)c1cccc2c4c5ccccc5ccc4n3c12.CC1(C)c2ccccc2-c2ccc3c(c21)c1cccc2c4cc5ccccc5cc4n3c21
• InChI: InChI=1S/2C39H26N2.3C31H21N/c1-39(2)29-17-9-6-14-24(29)25-20-21-32-35(37(25)39)28-22-33-34(36-27-16-8-11-19-31(27)41(32)38(28)36)26-15-7-10-18-30(26)40(33)23-12-4-3-5-13-23;1-39(2)30-17-9-6-14-24(30)26-20-21-33-34(36(26)39)29-22-28-25-15-7-10-18-31(25)40(23-12-4-3-5-13-23)37(28)35-27-16-8-11-19-32(27)41(33)38(29)35;1-31(2)24-13-7-5-11-20(24)22-15-16-26-28(29(22)31)27-19-10-4-3-9-18(19)17-23-21-12-6-8-14-25(21)32(26)30(23)27;1-31(2)24-13-6-5-10-20(24)21-15-17-26-28(29(21)31)23-12-7-11-22-27-19-9-4-3-8-18(19)14-16-25(27)32(26)30(22)23;1-31(2)25-13-6-5-10-20(25)21-14-15-26-28(29(21)31)23-12-7-11-22-24-16-18-8-3-4-9-19(18)17-27(24)32(26)30(22)23/h2*3-22H,1-2H3;3*3-17H,1-2H3
• InChIKey: VXLAIEKKTALTFS-UHFFFAOYSA-N
• XLogP: 45.37
• TPSA: 31.91 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 2
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2267.85
LogP ≤ 5	45.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene?

The IUPAC name of 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene (CID 161426585) is 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene.

What is the SMILES notation for 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene?

The canonical SMILES for 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene is CC1(C)c2ccccc2-c2ccc3c(c21)c1c2ccccc2cc2c4ccccc4n3c21.CC1(C)c2ccccc2-c2ccc3c(c21)c1cc2c(c4ccccc4n2-c2ccccc2)c2c4ccccc4n3c12.CC1(C)c2ccccc2-c2ccc3c(c21)c1cc2c4ccccc4n(-c4ccccc4)c2c2c4ccccc4n3c12.CC1(C)c2ccccc2-c2ccc3c(c21)c1cccc2c4c5ccccc5ccc4n3c12.CC1(C)c2ccccc2-c2ccc3c(c21)c1cccc2c4cc5ccccc5cc4n3c21.

What is the InChIKey of 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene?

The InChIKey is VXLAIEKKTALTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C39H26N2.3C31H21N/c1-39(2)29-17-9-6-14-24(29)25-20-21-32-35(37(25)39)28-22-33-34(36-27-16-8-11-19-31(27)41(32)38(28)36)26-15-7-10-18-30(26)40(33)23-12-4-3-5-13-23;1-39(2)30-17-9-6-14-24(30)26-20-21-33-34(36(26)39)29-22-28-25-15-7-10-18-31(25)40(23-12-4-3-5-13-23)37(28)35-27-16-8-11-19-32(27)41(33)38(29)35;1-31(2)24-13-7-5-11-20(24)22-15-16-26-28(29(22)31)27-19-10-4-3-9-18(19)17-23-21-12-6-8-14-25(21)32(26)30(23)27;1-31(2)24-13-6-5-10-20(24)21-15-17-26-28(29(21)31)23-12-7-11-22-27-19-9-4-3-8-18(19)14-16-25(27)32(26)30(22)23;1-31(2)25-13-6-5-10-20(25)21-14-15-26-28(29(21)31)23-12-7-11-22-24-16-18-8-3-4-9-19(18)17-27(24)32(26)30(22)23/h2*3-22H,1-2H3;3*3-17H,1-2H3.

What are the key properties of 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene?

19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene has a molecular weight of 2267.85 g/mol, XLogP of 45.37, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 19,19-dimethyl-1-azaoctacyclo[14.13.1.02,7.08,30.010,15.017,29.018,26.020,25]triaconta-2,4,6,8,10,12,14,16(30),17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.04,9.012,30.017,29.018,26.020,25]triaconta-2,4,6,8,10,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;19,19-dimethyl-1-azaoctacyclo[14.13.1.02,11.05,10.012,30.017,29.018,26.020,25]triaconta-2(11),3,5,7,9,12(30),13,15,17(29),18(26),20,22,24,27-tetradecaene;22,22-dimethyl-10-phenyl-1,10-diazanonacyclo[17.13.1.02,7.08,33.09,17.011,16.020,32.021,29.023,28]tritriaconta-2,4,6,8,11,13,15,17,19(33),20(32),21(29),23,25,27,30-pentadecaene;22,22-dimethyl-16-phenyl-1,16-diazanonacyclo[17.13.1.02,7.08,33.09,17.010,15.020,32.021,29.023,28]tritriaconta-2,4,6,8(33),9(17),10,12,14,18,20(32),21(29),23,25,27,30-pentadecaene is sourced from PubChem (CID 161426585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).