octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene

C71H130N6O3S — CID 157493225

IUPACoctakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cocn1
InChIInChI=1S/C5H5N.8C5H12.2C4H5N.2C4H4O.C4H4S.C3H4N2.C3H3NO/c1-2-4-6-5-3-1;8*1-5(2,3)4;5*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-5H;8*1-4H3;2*1-5H;3*1-4H;1-3H,(H,4,5);1-3H
InChIKeyBXNGRNZITGSTTN-UHFFFAOYSA-N
MW1147.93 g/mol
LogP24.92
Rot. Bonds

About octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene

octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene (PubChem CID 157493225) has the molecular formula C71H130N6O3S and a molecular weight of 1147.93 g/mol. Its IUPAC name is octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene.

Molecular Properties

Compound Nameoctakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene
PubChem CID157493225
Molecular FormulaC71H130N6O3S
Molecular Weight1147.93 g/mol
Exact Mass1146.99
IUPAC Nameoctakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cocn1
InChIInChI=1S/C5H5N.8C5H12.2C4H5N.2C4H4O.C4H4S.C3H4N2.C3H3NO/c1-2-4-6-5-3-1;8*1-5(2,3)4;5*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-5H;8*1-4H3;2*1-5H;3*1-4H;1-3H,(H,4,5);1-3H
InChIKeyBXNGRNZITGSTTN-UHFFFAOYSA-N
XLogP24.92
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001147.93
LogP ≤ 524.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene with MolForge

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Launch Full Analysis

Related Compounds

1-(furan-2-yl)-2-pyrrolidin-1-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141036720
2-[1-(furan-2-yl)-2-(1H-imidazol-2-yl)-5-(1H-pyrrol-2-yl)-1-thiophen-2-yl-1,3-thiazol-4-yl]-1,3-oxazole
CID 141107824
2-[1-(furan-2-yl)-1-pyridin-2-yl-4-(1H-pyrrol-2-yl)-5-thiophen-2-yl-1,3-thiazol-2-yl]-1,3-oxazole
CID 156779601
furan;tridecakis(2-methylpropane);1,3-oxazole;pyrazine;bis(pyridine);pyrimidine;1H-pyrrole;bis(3H-pyrrole);1,3-thiazole;thiophene
CID 157055612
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
3-ethyl-4-methoxythiophene;3-ethylthiophene;methane;3-methylfuran;1-methylimidazole;4-methyl-1,3-oxazole;4-methyl-1,3-thiazole;3-methylthiophene;1H-pyrrole;thiophene
CID 157157462
furan;bis(1H-imidazole);methane;bis(1,3-oxazole);pyrazine;1H-pyrazole;pyridine;bis(pyrimidine);1H-pyrrole;3H-pyrrole;thiophene
CID 157348433
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
2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylselenophene;3-methylselenophene;2-methyl-1,3,4-thiadiazole;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157556841
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
furan;1H-imidazole;1,3-oxazole;pyrimidine;1H-pyrrole;1,3-thiazole
CID 157763977

Frequently Asked Questions

What is the IUPAC name of octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene?
The IUPAC name of octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene (CID 157493225) is octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene.
What is the SMILES notation for octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene?
The canonical SMILES for octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.c1c[nH]cn1.c1cc[nH]c1.c1cc[nH]c1.c1ccncc1.c1ccoc1.c1ccoc1.c1ccsc1.c1cocn1.
What is the InChIKey of octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene?
The InChIKey is BXNGRNZITGSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.8C5H12.2C4H5N.2C4H4O.C4H4S.C3H4N2.C3H3NO/c1-2-4-6-5-3-1;8*1-5(2,3)4;5*1-2-4-5-3-1;2*1-2-5-3-4-1/h1-5H;8*1-4H3;2*1-5H;3*1-4H;1-3H,(H,4,5);1-3H.
What are the key properties of octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene?
octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene has a molecular weight of 1147.93 g/mol, XLogP of 24.92, 0 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(2,2-dimethylpropane);furan;1H-imidazole;1,3-oxazole;pyridine;bis(1H-pyrrole);thiophene is sourced from PubChem (CID 157493225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).