benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene

C74H79N9O4S2 — CID 160567242

IUPACbenzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene
SMILESC1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.c1cscn1
InChIInChI=1S/C10H8.C9H7N.C8H7N.C6H6.3C5H5N.C5H10O.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-8H;1-7H;1-4,6H,5H2;1-6H;3*1-5H;1-5H2;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyRABUOQMVBWKMBX-UHFFFAOYSA-N
MW1222.64 g/mol
LogP19.19
Rot. Bonds

About benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene

benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene (PubChem CID 160567242) has the molecular formula C74H79N9O4S2 and a molecular weight of 1222.64 g/mol. Its IUPAC name is benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene.

Molecular Properties

Compound Namebenzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene
PubChem CID160567242
Molecular FormulaC74H79N9O4S2
Molecular Weight1222.64 g/mol
Exact Mass1221.57
IUPAC Namebenzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene
SMILESC1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.c1cscn1
InChIInChI=1S/C10H8.C9H7N.C8H7N.C6H6.3C5H5N.C5H10O.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-8H;1-7H;1-4,6H,5H2;1-6H;3*1-5H;1-5H2;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H
InChIKeyRABUOQMVBWKMBX-UHFFFAOYSA-N
XLogP19.19
TPSA163.12 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001222.64
LogP ≤ 519.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

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Frequently Asked Questions

What is the IUPAC name of benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene?
The IUPAC name of benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene (CID 160567242) is benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene.
What is the SMILES notation for benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene?
The canonical SMILES for benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene is C1=Nc2ccccc2C1.C1CCOC1.C1CCOCC1.c1ccc2ccccc2c1.c1ccc2ncccc2c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cocn1.c1cscn1.
What is the InChIKey of benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene?
The InChIKey is RABUOQMVBWKMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C9H7N.C8H7N.C6H6.3C5H5N.C5H10O.C4H8O.C4H4O.C4H4S.C3H4N2.C3H3NO.C3H3NS/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)5-6-9-8;5*1-2-4-6-5-3-1;4*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-8H;1-7H;1-4,6H,5H2;1-6H;3*1-5H;1-5H2;1-4H2;2*1-4H;1-3H,(H,4,5);2*1-3H.
What are the key properties of benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene?
benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene has a molecular weight of 1222.64 g/mol, XLogP of 19.19, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;3H-indole;naphthalene;oxane;1,3-oxazole;oxolane;1H-pyrazole;tris(pyridine);quinoline;1,3-thiazole;thiophene is sourced from PubChem (CID 160567242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).