benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole

C83H142N4OS4Se — CID 158856596

IUPACbenzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
SMILESC/C=N/C.CC.CC.CC.CC.CC.CC.CC=CC.CC=CC.Cc1[se]c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc2c(C)c(C)sc2c1C.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H12S2.C9H15N.C8H12O.C8H12S.C8H12Se.C6H9NS.C6H6.C5H5N.2C4H8.C3H7N.6C2H6/c1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-6-7(2)9(4)10(5)8(6)3;3*1-5-6(2)8(4)9-7(5)3;1-4-5(2)8-6(3)7-4;2*1-2-4-6-5-3-1;3*1-3-4-2;6*1-2/h1-4H3;1-5H3;3*1-4H3;1-3H3;1-6H;1-5H;2*3-4H,1-2H3;3H,1-2H3;6*1-2H3/b;;;;;;;;;;4-3+;;;;;;
InChIKeyJADCAZQJRVYAFA-XMDCMZLXSA-N
MW1419.30 g/mol
LogP28.79
Rot. Bonds

About benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole

benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole (PubChem CID 158856596) has the molecular formula C83H142N4OS4Se and a molecular weight of 1419.30 g/mol. Its IUPAC name is benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole.

Molecular Properties

Compound Namebenzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
PubChem CID158856596
Molecular FormulaC83H142N4OS4Se
Molecular Weight1419.30 g/mol
Exact Mass1418.92
IUPAC Namebenzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole
SMILESC/C=N/C.CC.CC.CC.CC.CC.CC.CC=CC.CC=CC.Cc1[se]c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc2c(C)c(C)sc2c1C.c1ccccc1.c1ccncc1
InChIInChI=1S/C10H12S2.C9H15N.C8H12O.C8H12S.C8H12Se.C6H9NS.C6H6.C5H5N.2C4H8.C3H7N.6C2H6/c1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-6-7(2)9(4)10(5)8(6)3;3*1-5-6(2)8(4)9-7(5)3;1-4-5(2)8-6(3)7-4;2*1-2-4-6-5-3-1;3*1-3-4-2;6*1-2/h1-4H3;1-5H3;3*1-4H3;1-3H3;1-6H;1-5H;2*3-4H,1-2H3;3H,1-2H3;6*1-2H3/b;;;;;;;;;;4-3+;;;;;;
InChIKeyJADCAZQJRVYAFA-XMDCMZLXSA-N
XLogP28.79
TPSA56.21 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms93
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001419.30
LogP ≤ 528.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole with MolForge

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Related Compounds

Cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 157439072
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,3-xylene
CID 157577463
Bis(1,2,3,4-tetramethylpyrrole);1,2,3-trimethylbenzene;1,2,3-trimethylcyclopentane;bis(2,3,4-trimethylfuran);bis(2,3,4-trimethylthiophene)
CID 157599803
cyclopenta-1,3-diene;ethane;furan;2-methylpyridine;3-methylpyridine;2H-pyrrole;3H-pyrrole;1,3-thiazole;thiophene;toluene
CID 157694900
2,4-Dimethylfuran;2,5-dimethylfuran;2,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2,4-dimethylthiophene;2,5-dimethylthiophene;methane;1,4-xylene
CID 157753156
2,3,4,5-Tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 157801644
1,3-Di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;2,5-di(propan-2-yl)pyridine;2,6-di(propan-2-yl)pyridine;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene
CID 157829572
1,3-Dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene
CID 158193627
Cumene;1-propan-2-ylcyclohexene;2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 158203820
Cumene;methane;1-propan-2-ylcyclohexene;2-propan-2-ylcyclopenta-1,3-diene;3-propan-2-ylfuran;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 158221441
Cumene;1-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylcyclopenta-1,3-diene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158270181
Benzene;2,5-dimethylfuran;2,5-dimethylselenophene;2,5-dimethyl-[1,3]thiazolo[5,4-d][1,3]thiazole;2,5-dimethylthiophene;ethane;2-methyl-1-benzothiophene;naphthalene;pyridine;2,3,5,6-tetramethylthieno[3,2-b]thiophene;1,2,5-trimethylpyrrole;2,4,5-trimethyl-1,3-thiazole
CID 158293939

Frequently Asked Questions

What is the IUPAC name of benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?
The IUPAC name of benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole (CID 158856596) is benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole.
What is the SMILES notation for benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?
The canonical SMILES for benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole is C/C=N/C.CC.CC.CC.CC.CC.CC.CC=CC.CC=CC.Cc1[se]c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.Cc1nc(C)c(C)s1.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.Cc1sc2c(C)c(C)sc2c1C.c1ccccc1.c1ccncc1.
What is the InChIKey of benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?
The InChIKey is JADCAZQJRVYAFA-XMDCMZLXSA-N. The full InChI is InChI=1S/C10H12S2.C9H15N.C8H12O.C8H12S.C8H12Se.C6H9NS.C6H6.C5H5N.2C4H8.C3H7N.6C2H6/c1-5-7(3)11-10-6(2)8(4)12-9(5)10;1-6-7(2)9(4)10(5)8(6)3;3*1-5-6(2)8(4)9-7(5)3;1-4-5(2)8-6(3)7-4;2*1-2-4-6-5-3-1;3*1-3-4-2;6*1-2/h1-4H3;1-5H3;3*1-4H3;1-3H3;1-6H;1-5H;2*3-4H,1-2H3;3H,1-2H3;6*1-2H3/b;;;;;;;;;;4-3+;;;;;;.
What are the key properties of benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole?
benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole has a molecular weight of 1419.30 g/mol, XLogP of 28.79, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(but-2-ene);ethane;N-methylethanimine;1,2,3,4,5-pentamethylpyrrole;pyridine;2,3,4,5-tetramethylfuran;2,3,4,5-tetramethylselenophene;2,3,5,6-tetramethylthieno[3,2-b]thiophene;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-thiazole is sourced from PubChem (CID 158856596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).