carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)

C111H205N12OSY11-11 — CID 158062351

About carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)

carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium) (PubChem CID 158062351) has the molecular formula C111H205N12OSY11-11 and a molecular weight of 2733.98 g/mol. Its IUPAC name is carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium).

Molecular Properties

• Compound Name: carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)
• PubChem CID: 158062351
• Molecular Formula: C111H205N12OSY11-11
• Molecular Weight: 2733.98 g/mol
• Exact Mass: 2732.58
• IUPAC Name: carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ncncn1.Cn1cccn1.Cn1ccnc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1
• InChI: InChI=1S/C10H8.2C9H7N.C7H8.C5H5N.C4H5N3.2C4H6N2.C4H4N2.C4H4O.C4H4S.18C2H6.11CH3.11Y/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;18*1-2;;;;;;;;;;;;;;;;;;;;;;/h1-8H;2*1-7H;2-6H,1H3;1-5H;2-3H,1H3;2*2-4H,1H3;1-4H;2*1-4H;18*1-2H3;11*1H3;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;11*-1
• InChIKey: CLSWJSLNMZOLHM-UHFFFAOYSA-N
• XLogP: 38.31
• TPSA: 151.90 Ų
• H-Bond Acceptors: 14
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2733.98
LogP ≤ 5	38.31
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 carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)?

The IUPAC name of carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium) (CID 158062351) is carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium).

What is the SMILES notation for carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)?

The canonical SMILES for carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccccc1.Cc1ncncn1.Cn1cccn1.Cn1ccnc1.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cncnc1.

What is the InChIKey of carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)?

The InChIKey is CLSWJSLNMZOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.C7H8.C5H5N.C4H5N3.2C4H6N2.C4H4N2.C4H4O.C4H4S.18C2H6.11CH3.11Y/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-4-6-2-5-3-7-4;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;18*1-2;;;;;;;;;;;;;;;;;;;;;;/h1-8H;2*1-7H;2-6H,1H3;1-5H;2-3H,1H3;2*2-4H,1H3;1-4H;2*1-4H;18*1-2H3;11*1H3;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;11*-1;;;;;;;;;;;.

What are the key properties of carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium)?

carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium) has a molecular weight of 2733.98 g/mol, XLogP of 38.31, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;ethane;furan;isoquinoline;1-methylimidazole;1-methylpyrazole;2-methyl-1,3,5-triazine;naphthalene;pyridine;pyrimidine;quinoline;thiophene;toluene;undecakis(yttrium) is sourced from PubChem (CID 158062351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).