ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene

C188H244N5+5 — CID 163571818

About ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene

ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene (PubChem CID 163571818) has the molecular formula C188H244N5+5 and a molecular weight of 2574.05 g/mol. Its IUPAC name is ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene.

Molecular Properties

• Compound Name: ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene
• PubChem CID: 163571818
• Molecular Formula: C188H244N5+5
• Molecular Weight: 2574.05 g/mol
• Exact Mass: 2571.92
• IUPAC Name: ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2c(c3c4c1C(C)(C)[n+]1ccccc1C4c1ccccc1C3)-c1ccccc1C2.Cc1ccc2c3c1C(C)(C)[n+]1ccccc1C3c1c(ccc3c1-c1ccccc1C3)C2.Cc1ccc2c3c1C(C)(C)[n+]1ccccc1C3c1ccc3c(c1C2)Cc1ccccc1-3.Cc1cccc2c1C(C)(C)[n+]1cccc3c1C2c1ccc2c(c1-3)Cc1ccccc1C2.Cc1cccc2c1C(C)(C)[n+]1cccc3c1C2c1ccc2c(c1C3)Cc1ccccc1-2
• InChI: InChI=1S/5C30H26N.19C2H6/c1-18-23-16-19-10-4-6-12-21(19)26(23)24-17-20-11-5-7-13-22(20)27-25-14-8-9-15-31(25)30(2,3)29(18)28(24)27;1-18-8-6-12-24-27-23-14-13-22-21-11-5-4-9-19(21)16-25(22)26(23)17-20-10-7-15-31(29(20)27)30(2,3)28(18)24;1-18-8-6-11-23-27-22-14-13-21-16-19-9-4-5-10-20(19)17-25(21)26(22)24-12-7-15-31(29(24)27)30(2,3)28(18)23;1-18-11-12-22-17-21-14-13-20-16-19-8-4-5-9-23(19)25(20)26(21)28-24-10-6-7-15-31(24)30(2,3)29(18)27(22)28;1-18-11-12-20-17-25-23(14-13-22-21-9-5-4-8-19(21)16-24(22)25)28-26-10-6-7-15-31(26)30(2,3)29(18)27(20)28;19*1-2/h3*4-15,27H,16-17H2,1-3H3;2*4-15,28H,16-17H2,1-3H3;19*1-2H3/q5*+1
• InChIKey: KWWCFEZSTKUKQI-UHFFFAOYSA-N
• XLogP: 49.67
• TPSA: 19.40 Ų
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2574.05
LogP ≤ 5	49.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene?

The IUPAC name of ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene (CID 163571818) is ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene.

What is the SMILES notation for ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene?

The canonical SMILES for ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1c2c(c3c4c1C(C)(C)[n+]1ccccc1C4c1ccccc1C3)-c1ccccc1C2.Cc1ccc2c3c1C(C)(C)[n+]1ccccc1C3c1c(ccc3c1-c1ccccc1C3)C2.Cc1ccc2c3c1C(C)(C)[n+]1ccccc1C3c1ccc3c(c1C2)Cc1ccccc1-3.Cc1cccc2c1C(C)(C)[n+]1cccc3c1C2c1ccc2c(c1-3)Cc1ccccc1C2.Cc1cccc2c1C(C)(C)[n+]1cccc3c1C2c1ccc2c(c1C3)Cc1ccccc1-2.

What is the InChIKey of ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene?

The InChIKey is KWWCFEZSTKUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/5C30H26N.19C2H6/c1-18-23-16-19-10-4-6-12-21(19)26(23)24-17-20-11-5-7-13-22(20)27-25-14-8-9-15-31(25)30(2,3)29(18)28(24)27;1-18-8-6-12-24-27-23-14-13-22-21-11-5-4-9-19(21)16-25(22)26(23)17-20-10-7-15-31(29(20)27)30(2,3)28(18)24;1-18-8-6-11-23-27-22-14-13-21-16-19-9-4-5-10-20(19)17-25(21)26(22)24-12-7-15-31(29(24)27)30(2,3)28(18)23;1-18-11-12-22-17-21-14-13-20-16-19-8-4-5-9-23(19)25(20)26(21)28-24-10-6-7-15-31(24)30(2,3)29(18)27(22)28;1-18-11-12-20-17-25-23(14-13-22-21-9-5-4-8-19(21)16-24(22)25)28-26-10-6-7-15-31(26)30(2,3)29(18)27(20)28;19*1-2/h3*4-15,27H,16-17H2,1-3H3;2*4-15,28H,16-17H2,1-3H3;19*1-2H3/q5*+1;;;;;;;;;;;;;;;;;;;.

What are the key properties of ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene?

ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene has a molecular weight of 2574.05 g/mol, XLogP of 49.67, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2,2,27-trimethyl-3-azoniaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19,21,23,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.03,11.04,9.020,28.022,27]octacosa-2(14),3(11),4,6,8,12,16(28),17,19,22,24,26-dodecaene;19,21,21-trimethyl-22-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,21,23-trimethyl-20-azoniaheptacyclo[14.11.1.02,14.05,13.06,11.020,28.022,27]octacosa-2(14),3,5(13),6,8,10,16(28),17,19,22,24,26-dodecaene;21,23,23-trimethyl-24-azoniaheptacyclo[14.11.1.02,15.03,12.05,10.017,22.024,28]octacosa-1(28),2(15),3(12),5,7,9,13,17,19,21,24,26-dodecaene is sourced from PubChem (CID 163571818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).