15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane

C163H208N4 — CID 157310207

About 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane

15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane (PubChem CID 157310207) has the molecular formula C163H208N4 and a molecular weight of 2223.48 g/mol. Its IUPAC name is 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane.

Molecular Properties

• Compound Name: 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane
• PubChem CID: 157310207
• Molecular Formula: C163H208N4
• Molecular Weight: 2223.48 g/mol
• Exact Mass: 2221.64
• IUPAC Name: 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane
• SMILES: C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1c1ccc3c(c1n1cccc21)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1c1cccn13)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cccn1c1cc2c(cc31)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c4ccc5c(c4c4cccn4c3cc1-2)-c1ccccc1C5
• InChI: InChI=1S/4C30H19N.20C2H6.3CH4/c1-4-9-22-18(6-1)14-20-16-29-27(17-25(20)22)30-24(28-10-5-13-31(28)29)12-11-23-21-8-3-2-7-19(21)15-26(23)30;1-3-8-21-19(7-1)17-26-23(21)13-14-24-27-10-5-15-31(27)30-25(29(24)26)12-11-20-16-18-6-2-4-9-22(18)28(20)30;1-3-8-22-18(6-1)15-21-16-26-24-12-11-20-14-19-7-2-4-9-23(19)29(20)30(24)27-10-5-13-31(27)28(26)17-25(21)22;1-3-8-22-18(6-1)12-20-14-26-27(16-24(20)22)29-10-5-11-31(29)30-15-21-13-19-7-2-4-9-23(19)25(21)17-28(26)30;20*1-2;;;/h1-13,16-17H,14-15H2;1-15H,16-17H2;1-13,16-17H,14-15H2;1-11,14-17H,12-13H2;20*1-2H3;3*1H4
• InChIKey: BCYJPLPSUUGCQO-UHFFFAOYSA-N
• XLogP: 51.98
• TPSA: 17.64 Ų
• H-Bond Acceptors: 4
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2223.48
LogP ≤ 5	51.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane?

The IUPAC name of 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane (CID 157310207) is 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane.

What is the SMILES notation for 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane?

The canonical SMILES for 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2c(c1)Cc1c-2ccc2c1c1ccc3c(c1n1cccc21)-c1ccccc1C3.c1ccc2c(c1)Cc1cc3c(cc1-2)c1c2c(ccc1c1cccn13)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c(cc1-2)c1cccn1c1cc2c(cc31)-c1ccccc1C2.c1ccc2c(c1)Cc1cc3c4ccc5c(c4c4cccn4c3cc1-2)-c1ccccc1C5.

What is the InChIKey of 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane?

The InChIKey is BCYJPLPSUUGCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C30H19N.20C2H6.3CH4/c1-4-9-22-18(6-1)14-20-16-29-27(17-25(20)22)30-24(28-10-5-13-31(28)29)12-11-23-21-8-3-2-7-19(21)15-26(23)30;1-3-8-21-19(7-1)17-26-23(21)13-14-24-27-10-5-15-31(27)30-25(29(24)26)12-11-20-16-18-6-2-4-9-22(18)28(20)30;1-3-8-22-18(6-1)15-21-16-26-24-12-11-20-14-19-7-2-4-9-23(19)29(20)30(24)27-10-5-13-31(27)28(26)17-25(21)22;1-3-8-22-18(6-1)12-20-14-26-27(16-24(20)22)29-10-5-11-31(29)30-15-21-13-19-7-2-4-9-23(19)25(21)17-28(26)30;20*1-2;;;/h1-13,16-17H,14-15H2;1-15H,16-17H2;1-13,16-17H,14-15H2;1-11,14-17H,12-13H2;20*1-2H3;3*1H4.

What are the key properties of 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane?

15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane has a molecular weight of 2223.48 g/mol, XLogP of 51.98, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15-azaoctacyclo[18.11.0.02,14.04,12.05,10.015,19.022,30.023,28]hentriaconta-1(20),2(14),3,5,7,9,12,16,18,21,23,25,27,30-tetradecaene;15-azaoctacyclo[18.11.0.02,14.04,12.06,11.015,19.021,29.022,27]hentriaconta-1(20),2(14),3,6,8,10,12,16,18,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.021,29.022,27]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21(29),22,24,26,30-tetradecaene;19-azaoctacyclo[18.11.0.02,14.03,11.05,10.015,19.022,30.024,29]hentriaconta-1(20),2(14),3(11),5,7,9,12,15,17,21,24,26,28,30-tetradecaene;ethane;methane is sourced from PubChem (CID 157310207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).