ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)

C154H154N14Y7-14 — CID 157453330

About ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)

ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium) (PubChem CID 157453330) has the molecular formula C154H154N14Y7-14 and a molecular weight of 2823.37 g/mol. Its IUPAC name is ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium).

Molecular Properties

• Compound Name: ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)
• PubChem CID: 157453330
• Molecular Formula: C154H154N14Y7-14
• Molecular Weight: 2823.37 g/mol
• Exact Mass: 2821.60
• IUPAC Name: ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[c-]1cc2cnccc2cc1-c1[c-]ncc2ccccc12.[c-]1ccc2ccncc2c1-c1[c-]c2ccccc2cn1.[c-]1ccc2ccncc2c1-c1[c-]c2ccncc2cc1.[c-]1ccc2ccncc2c1-c1[c-]c2cnccc2cc1.[c-]1ccc2cnccc2c1-c1[c-]c2ccccc2cn1.[c-]1ccc2cnccc2c1-c1[c-]c2ccncc2cc1.[c-]1ccc2cnccc2c1-c1[c-]c2cnccc2cc1
• InChI: InChI=1S/7C18H10N2.14C2H6.7Y/c1-2-5-15-11-20-18(10-14(15)4-1)16-7-3-6-13-8-9-19-12-17(13)16;1-2-5-14-12-20-18(10-13(14)4-1)17-7-3-6-15-11-19-9-8-16(15)17;1-2-16-12-20-9-7-18(16)17(3-1)14-4-5-15-11-19-8-6-13(15)10-14;1-2-15-11-20-9-7-18(15)17(3-1)14-5-4-13-6-8-19-12-16(13)10-14;1-2-14-7-9-20-12-18(14)17(3-1)15-5-4-13-6-8-19-11-16(13)10-15;1-2-13-6-8-20-12-18(13)17(3-1)15-4-5-16-11-19-9-7-14(16)10-15;1-2-4-17-16(3-1)11-20-12-18(17)14-5-6-15-10-19-8-7-13(15)9-14;14*1-2;;;;;;;/h2*1-6,8-9,11-12H;4*1-2,4-9,11-12H;1-4,6-11H;14*1-2H3;;;;;;;/q7*-2
• InChIKey: DOOFLAHODLMIMF-UHFFFAOYSA-N
• XLogP: 42.70
• TPSA: 180.46 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 7
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2823.37
LogP ≤ 5	42.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)?

The IUPAC name of ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium) (CID 157453330) is ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium).

What is the SMILES notation for ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)?

The canonical SMILES for ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[c-]1cc2cnccc2cc1-c1[c-]ncc2ccccc12.[c-]1ccc2ccncc2c1-c1[c-]c2ccccc2cn1.[c-]1ccc2ccncc2c1-c1[c-]c2ccncc2cc1.[c-]1ccc2ccncc2c1-c1[c-]c2cnccc2cc1.[c-]1ccc2cnccc2c1-c1[c-]c2ccccc2cn1.[c-]1ccc2cnccc2c1-c1[c-]c2ccncc2cc1.[c-]1ccc2cnccc2c1-c1[c-]c2cnccc2cc1.

What is the InChIKey of ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)?

The InChIKey is DOOFLAHODLMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/7C18H10N2.14C2H6.7Y/c1-2-5-15-11-20-18(10-14(15)4-1)16-7-3-6-13-8-9-19-12-17(13)16;1-2-5-14-12-20-18(10-13(14)4-1)17-7-3-6-15-11-19-9-8-16(15)17;1-2-16-12-20-9-7-18(16)17(3-1)14-4-5-15-11-19-8-6-13(15)10-14;1-2-15-11-20-9-7-18(15)17(3-1)14-5-4-13-6-8-19-12-16(13)10-14;1-2-14-7-9-20-12-18(14)17(3-1)15-5-4-13-6-8-19-11-16(13)10-15;1-2-13-6-8-20-12-18(13)17(3-1)15-4-5-16-11-19-9-7-14(16)10-15;1-2-4-17-16(3-1)11-20-12-18(17)14-5-6-15-10-19-8-7-13(15)9-14;14*1-2;;;;;;;/h2*1-6,8-9,11-12H;4*1-2,4-9,11-12H;1-4,6-11H;14*1-2H3;;;;;;;/q7*-2;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium)?

ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium) has a molecular weight of 2823.37 g/mol, XLogP of 42.70, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-(6H-isoquinolin-6-id-5-yl)-4H-isoquinolin-4-ide;3-(7H-isoquinolin-7-id-8-yl)-4H-isoquinolin-4-ide;4-(7H-isoquinolin-7-id-6-yl)-3H-isoquinolin-3-ide;5-(5H-isoquinolin-5-id-6-yl)-6H-isoquinolin-6-ide;5-(8H-isoquinolin-8-id-7-yl)-6H-isoquinolin-6-ide;6-(7H-isoquinolin-7-id-8-yl)-5H-isoquinolin-5-ide;7-(7H-isoquinolin-7-id-8-yl)-8H-isoquinolin-8-ide;heptakis(yttrium) is sourced from PubChem (CID 157453330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).