3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan

C28H22O6 — CID 146601487

IUPAC3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan
SMILESCc1ccc(-c2ccc(-c3cc(C)c(-c4oc(-c5ccc(-c6ccc(C)o6)o5)cc4C)o3)o2)o1
InChIInChI=1S/C28H22O6/c1-15-13-25(23-11-9-21(31-23)19-7-5-17(3)29-19)33-27(15)28-16(2)14-26(34-28)24-12-10-22(32-24)20-8-6-18(4)30-20/h5-14H,1-4H3
InChIKeySCHHITACIGUMGX-UHFFFAOYSA-N
MW454.48 g/mol
LogP8.81
Rot. Bonds5

About 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan

3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan (PubChem CID 146601487) has the molecular formula C28H22O6 and a molecular weight of 454.48 g/mol. Its IUPAC name is 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan.

Molecular Properties

Compound Name3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan
PubChem CID146601487
Molecular FormulaC28H22O6
Molecular Weight454.48 g/mol
Exact Mass454.14
IUPAC Name3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan
SMILESCc1ccc(-c2ccc(-c3cc(C)c(-c4oc(-c5ccc(-c6ccc(C)o6)o5)cc4C)o3)o2)o1
InChIInChI=1S/C28H22O6/c1-15-13-25(23-11-9-21(31-23)19-7-5-17(3)29-19)33-27(15)28-16(2)14-26(34-28)24-12-10-22(32-24)20-8-6-18(4)30-20/h5-14H,1-4H3
InChIKeySCHHITACIGUMGX-UHFFFAOYSA-N
XLogP8.81
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.48
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan?
The IUPAC name of 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan (CID 146601487) is 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan.
What is the SMILES notation for 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan?
The canonical SMILES for 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan is Cc1ccc(-c2ccc(-c3cc(C)c(-c4oc(-c5ccc(-c6ccc(C)o6)o5)cc4C)o3)o2)o1.
What is the InChIKey of 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan?
The InChIKey is SCHHITACIGUMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22O6/c1-15-13-25(23-11-9-21(31-23)19-7-5-17(3)29-19)33-27(15)28-16(2)14-26(34-28)24-12-10-22(32-24)20-8-6-18(4)30-20/h5-14H,1-4H3.
What are the key properties of 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan?
3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan has a molecular weight of 454.48 g/mol, XLogP of 8.81, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]-2-[3-methyl-5-[5-(5-methylfuran-2-yl)furan-2-yl]furan-2-yl]furan is sourced from PubChem (CID 146601487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).