carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)

C63H117N5OSY6-6 — CID 157201939

About carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)

carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium) (PubChem CID 157201939) has the molecular formula C63H117N5OSY6-6 and a molecular weight of 1526.17 g/mol. Its IUPAC name is carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium).

Molecular Properties

• Compound Name: carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)
• PubChem CID: 157201939
• Molecular Formula: C63H117N5OSY6-6
• Molecular Weight: 1526.17 g/mol
• Exact Mass: 1525.34
• IUPAC Name: carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1ccnc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccoc1.c1ccsc1
• InChI: InChI=1S/2C9H7N.C5H5N.C4H6N2.C4H4O.C4H4S.11C2H6.6CH3.6Y/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-6-5-3-1;1-6-3-2-5-4-6;2*1-2-4-5-3-1;11*1-2;;;;;;;;;;;;/h2*1-7H;1-5H;2-4H,1H3;2*1-4H;11*1-2H3;6*1H3;;;;;;/q;;;;;;;;;;;;;;;;;6*-1
• InChIKey: QAKZDQWVDLEPGC-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 69.63 Ų
• H-Bond Acceptors: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1526.17
LogP ≤ 5	22.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)?

The IUPAC name of carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium) (CID 157201939) is carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium).

What is the SMILES notation for carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)?

The canonical SMILES for carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1ccnc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.

What is the InChIKey of carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)?

The InChIKey is QAKZDQWVDLEPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C5H5N.C4H6N2.C4H4O.C4H4S.11C2H6.6CH3.6Y/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-6-5-3-1;1-6-3-2-5-4-6;2*1-2-4-5-3-1;11*1-2;;;;;;;;;;;;/h2*1-7H;1-5H;2-4H,1H3;2*1-4H;11*1-2H3;6*1H3;;;;;;/q;;;;;;;;;;;;;;;;;6*-1;;;;;;.

What are the key properties of carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium)?

carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium) has a molecular weight of 1526.17 g/mol, XLogP of 22.97, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;ethane;furan;isoquinoline;1-methylimidazole;pyridine;quinoline;thiophene;hexakis(yttrium) is sourced from PubChem (CID 157201939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).