4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)

C85H70N15O2Y3-3 — CID 157359835

About 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)

4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium) (PubChem CID 157359835) has the molecular formula C85H70N15O2Y3-3 and a molecular weight of 1600.32 g/mol. Its IUPAC name is 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium).

Molecular Properties

• Compound Name: 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)
• PubChem CID: 157359835
• Molecular Formula: C85H70N15O2Y3-3
• Molecular Weight: 1600.32 g/mol
• Exact Mass: 1599.30
• IUPAC Name: 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)
• SMILES: C.C1=CC2N=CC=NC2C=C1.[Y].[Y].[Y].c1cc[n-]c1.c1ccc2[n-]cnc2c1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1ncccc12.c1cocn1.c1nnco1
• InChI: InChI=1S/2C12H8N2.C12H8N.C10H8.C9H7N.C8H8N2.C7H5N2.C5H5N.C4H4N.C3H3NO.C2H2N2O.CH4.3Y/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;;;;/h2*1-8H;1-8H;1-8H;1-7H;1-8H;1-5H;1-5H;1-4H;1-3H;1-2H;1H4;;;/q;;-1;;;;-1;;-1
• InChIKey: QHZQTLJYVNSWJL-UHFFFAOYSA-N
• XLogP: 18.89
• TPSA: 222.20 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1600.32
LogP ≤ 5	18.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)?

The IUPAC name of 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium) (CID 157359835) is 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium).

What is the SMILES notation for 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)?

The canonical SMILES for 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium) is C.C1=CC2N=CC=NC2C=C1.[Y].[Y].[Y].c1cc[n-]c1.c1ccc2[n-]cnc2c1.c1ccc2c(c1)[n-]c1ccccc12.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1ncccc12.c1cocn1.c1nnco1.

What is the InChIKey of 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)?

The InChIKey is QHZQTLJYVNSWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.C12H8N.C10H8.C9H7N.C8H8N2.C7H5N2.C5H5N.C4H4N.C3H3NO.C2H2N2O.CH4.3Y/c1-3-9-5-6-11-10(4-2-7-13-11)12(9)14-8-1;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;1-2-4-5-3-1;1-2-5-3-4-1;1-3-4-2-5-1;;;;/h2*1-8H;1-8H;1-8H;1-7H;1-8H;1-5H;1-5H;1-4H;1-3H;1-2H;1H4;;;/q;;-1;;;;-1;;-1;;;;;;.

What are the key properties of 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium)?

4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium) has a molecular weight of 1600.32 g/mol, XLogP of 18.89, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4a,8a-dihydroquinoxaline;benzimidazol-1-ide;carbazol-9-ide;methane;naphthalene;1,3,4-oxadiazole;1,3-oxazole;1,7-phenanthroline;1,10-phenanthroline;pyridine;pyrrol-1-ide;quinoline;tris(yttrium) is sourced from PubChem (CID 157359835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).