benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene

C58H59N15OS — CID 159237708

IUPACbenzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene
SMILESc1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cncnc1
InChIInChI=1S/C6H6.4C5H5N.5C4H4N2.C4H5N.C4H4O.C4H4S/c5*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1/h1-6H;4*1-5H;5*1-4H;1-5H;2*1-4H
InChIKeyKTRQPSYDNLXUMU-UHFFFAOYSA-N
MW1014.28 g/mol
LogP12.44
Rot. Bonds

About benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene

benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene (PubChem CID 159237708) has the molecular formula C58H59N15OS and a molecular weight of 1014.28 g/mol. Its IUPAC name is benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene.

Molecular Properties

Compound Namebenzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene
PubChem CID159237708
Molecular FormulaC58H59N15OS
Molecular Weight1014.28 g/mol
Exact Mass1013.47
IUPAC Namebenzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene
SMILESc1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cncnc1
InChIInChI=1S/C6H6.4C5H5N.5C4H4N2.C4H5N.C4H4O.C4H4S/c5*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1/h1-6H;4*1-5H;5*1-4H;1-5H;2*1-4H
InChIKeyKTRQPSYDNLXUMU-UHFFFAOYSA-N
XLogP12.44
TPSA209.39 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001014.28
LogP ≤ 512.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

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Related Compounds

2-[4-(1,3-diazinan-1-yl)-5-(furan-2-yl)-2-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-1-pyridin-2-ylthiophen-3-yl]pyrimidine
CID 140996912
5-(furan-2-yl)-2-(1H-imidazol-2-yl)-1-pyrazin-2-yl-4-(1H-pyrazol-5-yl)-1-pyridazin-3-yl-1-pyridin-2-yl-1-pyrimidin-2-yl-3-(1,3-thiazol-2-yl)-3H-1,2-thiazole
CID 141114805
1-(furan-2-yl)-1-pyrazin-2-yl-1-(1H-pyrazol-5-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-1-pyrimidin-2-yl-4-(1,2-thiazol-3-yl)-5-(1,3-thiazol-2-yl)thiadiazole
CID 141114814
3-[[6-(furan-2-ylmethylidene)-4-(1H-pyrrol-2-ylmethylidene)-5-(thiophen-2-ylmethylidene)-1H-pyrimidin-2-yl]methylidene]-5-(1H-imidazol-2-ylmethylidene)-6-(1H-pyrazol-3-ylmethylidene)-4-(pyridin-2-ylmethylidene)pyridazine
CID 151616737
benzene;furan;1H-imidazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;thiophene;1,3,5-triazine
CID 157132512
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 157348433
Furan;1-methylimidazole;1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;thiophene
CID 157391026
ethane;furan;pyrazine;pyridine;pyrimidine;1H-pyrrole;thiophene
CID 157452308
furan;1H-imidazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;bis(1H-pyrrole);3H-pyrrole;thiophene;1,3,5-triazine
CID 157526381
furan;1H-imidazole;1,2,4-oxadiazole;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;bis(1H-pyrrole);3H-pyrrole;thiophene;1,3,5-triazine
CID 157605189
Benzene;ethane;furan;hexakis(2-methylpropane);pyrazine;pyridine;pyrimidine;thiophene
CID 157689464
furan;1,2-oxazole;1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;1H-pyrrole;1,2-thiazole;thiophene;1,3,5-triazine
CID 157716433

Frequently Asked Questions

What is the IUPAC name of benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene?
The IUPAC name of benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene (CID 159237708) is benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene.
What is the SMILES notation for benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene?
The canonical SMILES for benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene is c1cc[nH]c1.c1ccccc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cncnc1.
What is the InChIKey of benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene?
The InChIKey is KTRQPSYDNLXUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.4C5H5N.5C4H4N2.C4H5N.C4H4O.C4H4S/c5*1-2-4-6-5-3-1;1-2-6-4-3-5-1;2*1-2-5-4-6-3-1;2*1-2-4-6-5-3-1;3*1-2-4-5-3-1/h1-6H;4*1-5H;5*1-4H;1-5H;2*1-4H.
What are the key properties of benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene?
benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene has a molecular weight of 1014.28 g/mol, XLogP of 12.44, 0 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;furan;pyrazine;pyridazine;tetrakis(pyridine);bis(pyrimidine);1H-pyrrole;thiophene is sourced from PubChem (CID 159237708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).