benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene

C82H165N7O2S — CID 160686775

IUPACbenzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1
InChIInChI=1S/C6H6.C5H9N3.C5H5N.C4H4O.C4H4S.13C4H10.C3H4N2.C3H3NO/c1-2-4-6-5-3-1;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;2*1-2-4-5-3-1;13*1-4(2)3;2*1-2-4-5-3-1/h1-6H;3-4H,1-2H3,(H,6,7,8);1-5H;2*1-4H;13*4H,1-3H3;1-3H,(H,4,5);1-3H
InChIKeyROWFKEAVLRCFIF-UHFFFAOYSA-N
MW1313.34 g/mol
LogP29.42
Rot. Bonds1

About benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene

benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene (PubChem CID 160686775) has the molecular formula C82H165N7O2S and a molecular weight of 1313.34 g/mol. Its IUPAC name is benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene.

Molecular Properties

Compound Namebenzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
PubChem CID160686775
Molecular FormulaC82H165N7O2S
Molecular Weight1313.34 g/mol
Exact Mass1312.27
IUPAC Namebenzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1
InChIInChI=1S/C6H6.C5H9N3.C5H5N.C4H4O.C4H4S.13C4H10.C3H4N2.C3H3NO/c1-2-4-6-5-3-1;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;2*1-2-4-5-3-1;13*1-4(2)3;2*1-2-4-5-3-1/h1-6H;3-4H,1-2H3,(H,6,7,8);1-5H;2*1-4H;13*4H,1-3H3;1-3H,(H,4,5);1-3H
InChIKeyROWFKEAVLRCFIF-UHFFFAOYSA-N
XLogP29.42
TPSA122.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001313.34
LogP ≤ 529.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[5-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-(2H-tetrazol-5-yl)-4-thiophen-2-yl-1-(2H-triazol-4-yl)-1,3-thiazol-2-yl]-1,2-oxazole
CID 141045087
1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2-methylfuran;3-methylfuran;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene;3,4,5-trimethyl-1,2-oxazole
CID 157212422
furan;tetrakis(2-methylbutane);1H-pyrazole;pyridine;thiophene;vanadium
CID 157496456
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CID 158555561
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CID 159921537
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CID 159983722
benzene;4,5-dihydropyridazine;1,2-dihydropyridine;furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;pyridine;1,3-thiazole;thiophene;2H-triazole
CID 161609751
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CID 162145566
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CID 162271396
propan-2-ylcyclopentane;3-propan-2-ylfuran;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;bis(5-propan-2-yl-1,3-thiazole);2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 162282174

Frequently Asked Questions

What is the IUPAC name of benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
The IUPAC name of benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene (CID 160686775) is benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene.
What is the SMILES notation for benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
The canonical SMILES for benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene is CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cn[nH]n1.c1ccccc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnoc1.
What is the InChIKey of benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
The InChIKey is ROWFKEAVLRCFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C5H9N3.C5H5N.C4H4O.C4H4S.13C4H10.C3H4N2.C3H3NO/c1-2-4-6-5-3-1;1-4(2)5-3-6-8-7-5;1-2-4-6-5-3-1;2*1-2-4-5-3-1;13*1-4(2)3;2*1-2-4-5-3-1/h1-6H;3-4H,1-2H3,(H,6,7,8);1-5H;2*1-4H;13*4H,1-3H3;1-3H,(H,4,5);1-3H.
What are the key properties of benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene?
benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene has a molecular weight of 1313.34 g/mol, XLogP of 29.42, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;tridecakis(2-methylpropane);1,2-oxazole;4-propan-2-yl-2H-triazole;1H-pyrazole;pyridine;thiophene is sourced from PubChem (CID 160686775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).