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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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

C150H194N4+4 — CID 162249451

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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 (PubChem CID 162249451) has the molecular formula C150H194N4+4 and a molecular weight of 2053.23 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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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.

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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
• PubChem CID: 162249451
• Molecular Formula: C150H194N4+4
• Molecular Weight: 2053.23 g/mol
• Exact Mass: 2051.53
• 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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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
• SMILES: 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+]1ccccc1C3c1cc3c(cc1C2)Cc1ccccc1-3.Cc1ccc2c3c1C(C)(C)[n+]1ccccc1C3c1ccc3c(c1C2)Cc1ccccc1-3
• InChI: InChI=1S/4C30H26N.15C2H6/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;1-18-11-12-22-17-21-14-13-20-16-19-8-4-5-9-23(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;1-18-11-12-20-15-22-16-21-14-19-8-4-5-9-23(19)24(21)17-25(22)28-26-10-6-7-13-31(26)30(2,3)29(18)27(20)28;15*1-2/h4-15,27H,16-17H2,1-3H3;2*4-15,28H,16-17H2,1-3H3;4-13,16-17,28H,14-15H2,1-3H3;15*1-2H3/q4*+1
• InChIKey: LUUJJEAQMDWYOJ-UHFFFAOYSA-N
• XLogP: 39.53
• TPSA: 15.52 Ų
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2053.23
LogP ≤ 5	39.53
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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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?

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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 (CID 162249451) 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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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.

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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?

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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 is 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+]1ccccc1C3c1cc3c(cc1C2)Cc1ccccc1-3.Cc1ccc2c3c1C(C)(C)[n+]1ccccc1C3c1ccc3c(c1C2)Cc1ccccc1-3.

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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?

The InChIKey is LUUJJEAQMDWYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C30H26N.15C2H6/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;1-18-11-12-22-17-21-14-13-20-16-19-8-4-5-9-23(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;1-18-11-12-20-15-22-16-21-14-19-8-4-5-9-23(19)24(21)17-25(22)28-26-10-6-7-13-31(26)30(2,3)29(18)27(20)28;15*1-2/h4-15,27H,16-17H2,1-3H3;2*4-15,28H,16-17H2,1-3H3;4-13,16-17,28H,14-15H2,1-3H3;15*1-2H3/q4*+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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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?

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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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 has a molecular weight of 2053.23 g/mol, XLogP of 39.53, 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[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5,7,9,12,16(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 is sourced from PubChem (CID 162249451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).