furan;tris(2-methylpropane);1H-pyrrole;thiophene

C24H43NOS — CID 160703850

IUPACfuran;tris(2-methylpropane);1H-pyrrole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.3C4H10/c3*1-2-4-5-3-1;3*1-4(2)3/h1-5H;2*1-4H;3*4H,1-3H3
InChIKeyRQYRGAKIWVZNIT-UHFFFAOYSA-N
MW393.68 g/mol
LogP9.03
Rot. Bonds

About furan;tris(2-methylpropane);1H-pyrrole;thiophene

furan;tris(2-methylpropane);1H-pyrrole;thiophene (PubChem CID 160703850) has the molecular formula C24H43NOS and a molecular weight of 393.68 g/mol. Its IUPAC name is furan;tris(2-methylpropane);1H-pyrrole;thiophene.

Molecular Properties

Compound Namefuran;tris(2-methylpropane);1H-pyrrole;thiophene
PubChem CID160703850
Molecular FormulaC24H43NOS
Molecular Weight393.68 g/mol
Exact Mass393.31
IUPAC Namefuran;tris(2-methylpropane);1H-pyrrole;thiophene
SMILESCC(C)C.CC(C)C.CC(C)C.c1cc[nH]c1.c1ccoc1.c1ccsc1
InChIInChI=1S/C4H5N.C4H4O.C4H4S.3C4H10/c3*1-2-4-5-3-1;3*1-4(2)3/h1-5H;2*1-4H;3*4H,1-3H3
InChIKeyRQYRGAKIWVZNIT-UHFFFAOYSA-N
XLogP9.03
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.68
LogP ≤ 59.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrrole;thiophene
CID 22609183
benzene;furan;1H-imidazole;tetradecakis(2-methylpropane);1,3-oxazole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1H-pyrrole);1,3-thiazole;thiophene
CID 167560901
furan;palladium
CID 174420623
furan;1,2-oxazole;1,3-oxazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 158545313
1,1'-biphenyl;furan;naphthalene;thiophene
CID 174915237
thiophene
CID 66625890
tert-butylbenzene;pentakis(2,2-dimethylpropane);furan;tetrakis(2-methylpropane);1-oxidopyridin-1-ium;pyridine;thiophene
CID 158205594
furan;1,2-oxazole;1,3-oxazole;1H-pyrazole;1H-pyrrole;1,2-thiazole;1,3-thiazole;thiophene
CID 158458577
benzene;ethane;furan
CID 145406264
benzene;ethane;furan;1H-imidazole;pyridine;quinoline;thiophene
CID 158376258
lithium furan
CID 21436829
thiophene;dihydrofluoride
CID 175081448

Frequently Asked Questions

What is the IUPAC name of furan;tris(2-methylpropane);1H-pyrrole;thiophene?
The IUPAC name of furan;tris(2-methylpropane);1H-pyrrole;thiophene (CID 160703850) is furan;tris(2-methylpropane);1H-pyrrole;thiophene.
What is the SMILES notation for furan;tris(2-methylpropane);1H-pyrrole;thiophene?
The canonical SMILES for furan;tris(2-methylpropane);1H-pyrrole;thiophene is CC(C)C.CC(C)C.CC(C)C.c1cc[nH]c1.c1ccoc1.c1ccsc1.
What is the InChIKey of furan;tris(2-methylpropane);1H-pyrrole;thiophene?
The InChIKey is RQYRGAKIWVZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C4H4S.3C4H10/c3*1-2-4-5-3-1;3*1-4(2)3/h1-5H;2*1-4H;3*4H,1-3H3.
What are the key properties of furan;tris(2-methylpropane);1H-pyrrole;thiophene?
furan;tris(2-methylpropane);1H-pyrrole;thiophene has a molecular weight of 393.68 g/mol, XLogP of 9.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan;tris(2-methylpropane);1H-pyrrole;thiophene is sourced from PubChem (CID 160703850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).