2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)

C74H116N4OS2 — CID 159189407

IUPAC2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)
SMILESCC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C
InChIInChI=1S/4C11H17N.C10H16O.2C10H16S/c2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;3*1-7(2)9-5-6-11-10(9)8(3)4/h4*5-9H,1-4H3;3*5-8H,1-4H3
InChIKeyKNWZFDRPLKRFIY-UHFFFAOYSA-N
MW1141.90 g/mol
LogP24.83
Rot. Bonds14

About 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)

2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene) (PubChem CID 159189407) has the molecular formula C74H116N4OS2 and a molecular weight of 1141.90 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene).

Molecular Properties

Compound Name2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)
PubChem CID159189407
Molecular FormulaC74H116N4OS2
Molecular Weight1141.90 g/mol
Exact Mass1140.86
IUPAC Name2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)
SMILESCC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C
InChIInChI=1S/4C11H17N.C10H16O.2C10H16S/c2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;3*1-7(2)9-5-6-11-10(9)8(3)4/h4*5-9H,1-4H3;3*5-8H,1-4H3
InChIKeyKNWZFDRPLKRFIY-UHFFFAOYSA-N
XLogP24.83
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001141.90
LogP ≤ 524.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene) with MolForge

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Related Compounds

2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-2-ylpyridine
CID 44423803
2-(Furan-2-yl)-6-pyridin-4-yl-4-thiophen-3-ylpyridine
CID 44423806
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-3-ylpyridine
CID 16654946
4-(Furan-2-yl)-2-(3-methylthiophen-2-yl)-6-thiophen-2-ylpyridine
CID 46224809
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
2,3-Dimethylfuran;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);2,3-dimethylthiophene;1,2-dimethyl-3-(trifluoromethyl)benzene;1,2,3,5-tetramethylbenzene;1,3,5-trifluoro-2-methylbenzene;1,2,4-trimethylbenzene
CID 157295675
bis(1,2-dimethylcyclopenta-1,3-diene);2,3-dimethylpyridine;2,3-dimethylthiophene;2,3-dimethyl-5-(trifluoromethyl)furan;1,2,4-trimethylcyclopenta-1,3-diene;bis(2,4,5-trimethyl-3H-pyrrole);1,2-xylene
CID 157623286
4-Tert-butyl-2-chloro-6-methylpyridine;5-tert-butyl-2-(1,1-difluoroethyl)pyridine;3-tert-butyl-1-methylcyclopenta-1,3-diene;4-tert-butyl-2-methylfuran;4-tert-butyl-2-methylthiophene;methane
CID 158755498

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)?
The IUPAC name of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene) (CID 159189407) is 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene).
What is the SMILES notation for 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)?
The canonical SMILES for 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene) is CC(C)c1cccnc1C(C)C.CC(C)c1cccnc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccncc1C(C)C.CC(C)c1ccoc1C(C)C.CC(C)c1ccsc1C(C)C.CC(C)c1ccsc1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)?
The InChIKey is KNWZFDRPLKRFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C11H17N.C10H16O.2C10H16S/c2*1-8(2)10-5-6-12-7-11(10)9(3)4;2*1-8(2)10-6-5-7-12-11(10)9(3)4;3*1-7(2)9-5-6-11-10(9)8(3)4/h4*5-9H,1-4H3;3*5-8H,1-4H3.
What are the key properties of 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene)?
2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene) has a molecular weight of 1141.90 g/mol, XLogP of 24.83, 14 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)furan;bis(2,3-di(propan-2-yl)pyridine);bis(3,4-di(propan-2-yl)pyridine);bis(2,3-di(propan-2-yl)thiophene) is sourced from PubChem (CID 159189407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).