18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene

C83H67N3 — CID 159042383

About 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene

18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene (PubChem CID 159042383) has the molecular formula C83H67N3 and a molecular weight of 1106.47 g/mol. Its IUPAC name is 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene.

Molecular Properties

• Compound Name: 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene
• PubChem CID: 159042383
• Molecular Formula: C83H67N3
• Molecular Weight: 1106.47 g/mol
• Exact Mass: 1105.53
• IUPAC Name: 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene
• SMILES: CC(C)c1cccc2c1-c1ccccc1-c1c(ccc3ccccc13)N2C.CCc1c2c(cc3ccccc13)N(C)c1ccc3ccccc3c1-c1ccccc1-2.Cc1cc2ccccc2c2c1-c1ccccc1-c1cc3ccccc3cc1N2C
• InChI: InChI=1S/C29H23N.C28H21N.C26H23N/c1-3-21-22-12-6-5-11-20(22)18-27-28(21)24-14-8-9-15-25(24)29-23-13-7-4-10-19(23)16-17-26(29)30(27)2;1-18-15-21-11-5-6-12-22(21)28-27(18)24-14-8-7-13-23(24)25-16-19-9-3-4-10-20(19)17-26(25)29(28)2;1-17(2)19-13-8-14-23-25(19)21-11-6-7-12-22(21)26-20-10-5-4-9-18(20)15-16-24(26)27(23)3/h4-18H,3H2,1-2H3;3-17H,1-2H3;4-17H,1-3H3
• InChIKey: JWFPARPSNSCRLM-UHFFFAOYSA-N
• XLogP: 23.07
• TPSA: 9.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1106.47
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene?

The IUPAC name of 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene (CID 159042383) is 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene.

What is the SMILES notation for 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene?

The canonical SMILES for 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene is CC(C)c1cccc2c1-c1ccccc1-c1c(ccc3ccccc13)N2C.CCc1c2c(cc3ccccc13)N(C)c1ccc3ccccc3c1-c1ccccc1-2.Cc1cc2ccccc2c2c1-c1ccccc1-c1cc3ccccc3cc1N2C.

What is the InChIKey of 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene?

The InChIKey is JWFPARPSNSCRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N.C28H21N.C26H23N/c1-3-21-22-12-6-5-11-20(22)18-27-28(21)24-14-8-9-15-25(24)29-23-13-7-4-10-19(23)16-17-26(29)30(27)2;1-18-15-21-11-5-6-12-22(21)28-27(18)24-14-8-7-13-23(24)25-16-19-9-3-4-10-20(19)17-26(25)29(28)2;1-17(2)19-13-8-14-23-25(19)21-11-6-7-12-22(21)26-20-10-5-4-9-18(20)15-16-24(26)27(23)3/h4-18H,3H2,1-2H3;3-17H,1-2H3;4-17H,1-3H3.

What are the key properties of 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene?

18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene has a molecular weight of 1106.47 g/mol, XLogP of 23.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 18,27-dimethyl-18-azahexacyclo[17.8.0.02,7.08,17.010,15.020,25]heptacosa-1(19),2,4,6,8,10,12,14,16,20,22,24,26-tridecaene;27-ethyl-18-methyl-18-azahexacyclo[17.8.0.02,7.08,17.09,14.021,26]heptacosa-1(27),2,4,6,8(17),9,11,13,15,19,21,23,25-tridecaene;14-methyl-9-propan-2-yl-14-azapentacyclo[13.8.0.02,7.08,13.018,23]tricosa-1(15),2,4,6,8,10,12,16,18,20,22-undecaene is sourced from PubChem (CID 159042383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).