benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene

C74H85N11O4S2 — CID 162132544

About benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene

benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene (PubChem CID 162132544) has the molecular formula C74H85N11O4S2 and a molecular weight of 1256.70 g/mol. Its IUPAC name is benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene
• PubChem CID: 162132544
• Molecular Formula: C74H85N11O4S2
• Molecular Weight: 1256.70 g/mol
• Exact Mass: 1255.62
• IUPAC Name: benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene
• SMILES: C.C.C1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cocn1.c1cscn1
• InChI: InChI=1S/2C9H7N.C8H7N.C6H6.2C5H5N.C5H10O.C4H4N2.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS.2CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8;4*1-2-4-6-5-3-1;1-2-6-4-3-5-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;;/h2*1-7H;1-4,6H,5H2;1-6H;2*1-5H;1-5H2;1-4H;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H;2*1H4
• InChIKey: ZIVUXNMYQQMQNN-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 188.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1256.70
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene?

The IUPAC name of benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene (CID 162132544) is benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene.

What is the SMILES notation for benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene?

The canonical SMILES for benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene is C.C.C1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cocn1.c1cscn1.

What is the InChIKey of benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene?

The InChIKey is ZIVUXNMYQQMQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N.C8H7N.C6H6.2C5H5N.C5H10O.C4H4N2.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS.2CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)5-6-9-8;4*1-2-4-6-5-3-1;1-2-6-4-3-5-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1;;/h2*1-7H;1-4,6H,5H2;1-6H;2*1-5H;1-5H2;1-4H;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H;2*1H4.

What are the key properties of benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene?

benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene has a molecular weight of 1256.70 g/mol, XLogP of 19.25, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;furan;3H-indole;isoquinoline;methane;oxane;1,3-oxazole;oxolane;pyrazine;1H-pyrazole;bis(pyridine);quinoline;1,3-thiazole;thiophene is sourced from PubChem (CID 162132544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).