ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane

C170H170 — CID 159918871

About ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane

ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane (PubChem CID 159918871) has the molecular formula C170H170 and a molecular weight of 2213.23 g/mol. Its IUPAC name is ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane.

Molecular Properties

• Compound Name: ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane
• PubChem CID: 159918871
• Molecular Formula: C170H170
• Molecular Weight: 2213.23 g/mol
• Exact Mass: 2211.33
• IUPAC Name: ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane
• SMILES: C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2cc3c4c(ccc3cc2c1)-c1c(ccc2c1ccc1ccccc12)C4.c1ccc2cc3c4c(ccc3cc2c1)Cc1c-4c2ccccc2c2ccccc12.c1ccc2cc3c4c(ccc3cc2c1)Cc1c-4ccc2c1ccc1ccccc12.c1ccc2cc3c4c(ccc3cc2c1)Cc1c-4ccc2ccc3ccccc3c12.c1ccc2cc3c4c(ccc3cc2c1)Cc1cc2c(ccc3ccccc32)cc1-4
• InChI: InChI=1S/5C29H18.10C2H6.5CH4/c1-2-8-19-16-26-20(15-18(19)7-1)13-14-21-17-27-24-11-4-3-9-22(24)23-10-5-6-12-25(23)29(27)28(21)26;1-2-7-20-16-27-21(15-19(20)6-1)10-14-26-28(27)17-22-11-12-24-23-8-4-3-5-18(23)9-13-25(24)29(22)26;1-2-7-20-15-27-21(13-19(20)6-1)11-12-23-14-24-17-26-22(16-28(24)29(23)27)10-9-18-5-3-4-8-25(18)26;1-2-7-20-16-27-21(15-19(20)6-1)9-10-22-17-28-25-12-11-18-5-3-4-8-23(18)24(25)13-14-26(28)29(22)27;1-2-7-21-16-26-22(15-20(21)6-1)11-12-23-17-27-25(29(23)26)14-13-19-10-9-18-5-3-4-8-24(18)28(19)27;10*1-2;;;;;/h2*1-16H,17H2;1-13,15-17H,14H2;2*1-16H,17H2;10*1-2H3;5*1H4
• InChIKey: NYDKLNVXUZEEOH-UHFFFAOYSA-N
• XLogP: 52.80
• TPSA: 0.00 Ų
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2213.23
LogP ≤ 5	52.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane?

The IUPAC name of ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane (CID 159918871) is ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane.

What is the SMILES notation for ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane?

The canonical SMILES for ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane is C.C.C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1ccc2cc3c4c(ccc3cc2c1)-c1c(ccc2c1ccc1ccccc12)C4.c1ccc2cc3c4c(ccc3cc2c1)Cc1c-4c2ccccc2c2ccccc12.c1ccc2cc3c4c(ccc3cc2c1)Cc1c-4ccc2c1ccc1ccccc12.c1ccc2cc3c4c(ccc3cc2c1)Cc1c-4ccc2ccc3ccccc3c12.c1ccc2cc3c4c(ccc3cc2c1)Cc1cc2c(ccc3ccccc32)cc1-4.

What is the InChIKey of ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane?

The InChIKey is NYDKLNVXUZEEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/5C29H18.10C2H6.5CH4/c1-2-8-19-16-26-20(15-18(19)7-1)13-14-21-17-27-24-11-4-3-9-22(24)23-10-5-6-12-25(23)29(27)28(21)26;1-2-7-20-16-27-21(15-19(20)6-1)10-14-26-28(27)17-22-11-12-24-23-8-4-3-5-18(23)9-13-25(24)29(22)26;1-2-7-20-15-27-21(13-19(20)6-1)11-12-23-14-24-17-26-22(16-28(24)29(23)27)10-9-18-5-3-4-8-25(18)26;1-2-7-20-16-27-21(15-19(20)6-1)9-10-22-17-28-25-12-11-18-5-3-4-8-23(18)24(25)13-14-26(28)29(22)27;1-2-7-21-16-26-22(15-20(21)6-1)11-12-23-17-27-25(29(23)26)14-13-19-10-9-18-5-3-4-8-24(18)28(19)27;10*1-2;;;;;/h2*1-16H,17H2;1-13,15-17H,14H2;2*1-16H,17H2;10*1-2H3;5*1H4.

What are the key properties of ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane?

ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane has a molecular weight of 2213.23 g/mol, XLogP of 52.80, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;heptacyclo[15.12.0.02,15.03,12.05,10.018,23.024,29]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.019,24]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.018,27.021,26]nonacosa-1(17),2(15),3,5,7,9,11,13,18(27),19,21,23,25,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.05,10.019,28.020,25]nonacosa-1(17),2(15),3,5,7,9,11,13,18,20,22,24,26,28-tetradecaene;heptacyclo[15.12.0.02,15.03,12.06,11.018,27.020,25]nonacosa-1(17),2(15),3(12),4,6,8,10,13,18,20,22,24,26,28-tetradecaene;methane is sourced from PubChem (CID 159918871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).