4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene

C28H36OS3 — CID 163233159

IUPAC4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)s2)s1.CC(C)c1coc(-c2cc(C(C)C)cs2)c1
InChIInChI=1S/C14H18OS.C14H18S2/c1-9(2)11-5-13(15-7-11)14-6-12(8-16-14)10(3)4;1-9(2)11-5-7-13(15-11)14-8-6-12(16-14)10(3)4/h2*5-10H,1-4H3
InChIKeyUDEAUJCCZZLGQN-UHFFFAOYSA-N
MW484.80 g/mol
LogP10.98
Rot. Bonds6

About 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene

4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene (PubChem CID 163233159) has the molecular formula C28H36OS3 and a molecular weight of 484.80 g/mol. Its IUPAC name is 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene.

Molecular Properties

Compound Name4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene
PubChem CID163233159
Molecular FormulaC28H36OS3
Molecular Weight484.80 g/mol
Exact Mass484.19
IUPAC Name4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene
SMILESCC(C)c1ccc(-c2ccc(C(C)C)s2)s1.CC(C)c1coc(-c2cc(C(C)C)cs2)c1
InChIInChI=1S/C14H18OS.C14H18S2/c1-9(2)11-5-13(15-7-11)14-6-12(8-16-14)10(3)4;1-9(2)11-5-7-13(15-11)14-8-6-12(16-14)10(3)4/h2*5-10H,1-4H3
InChIKeyUDEAUJCCZZLGQN-UHFFFAOYSA-N
XLogP10.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.80
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene?
The IUPAC name of 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene (CID 163233159) is 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene.
What is the SMILES notation for 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene?
The canonical SMILES for 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene is CC(C)c1ccc(-c2ccc(C(C)C)s2)s1.CC(C)c1coc(-c2cc(C(C)C)cs2)c1.
What is the InChIKey of 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene?
The InChIKey is UDEAUJCCZZLGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18OS.C14H18S2/c1-9(2)11-5-13(15-7-11)14-6-12(8-16-14)10(3)4;1-9(2)11-5-7-13(15-11)14-8-6-12(16-14)10(3)4/h2*5-10H,1-4H3.
What are the key properties of 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene?
4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene has a molecular weight of 484.80 g/mol, XLogP of 10.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)furan;2-propan-2-yl-5-(5-propan-2-ylthiophen-2-yl)thiophene is sourced from PubChem (CID 163233159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).