3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan

C32H26O2 — CID 15650118

IUPAC3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan
SMILESCC1=C(c2ccccc2)OC2(c3ccccc3)C(C)=C(c3ccccc3)OC12c1ccccc1
InChIInChI=1S/C32H26O2/c1-23-29(25-15-7-3-8-16-25)33-32(28-21-13-6-14-22-28)24(2)30(26-17-9-4-10-18-26)34-31(23,32)27-19-11-5-12-20-27/h3-22H,1-2H3
InChIKeyWBXADEJADBYWEG-UHFFFAOYSA-N
MW442.56 g/mol
LogP7.70
Rot. Bonds4

About 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan

3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan (PubChem CID 15650118) has the molecular formula C32H26O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan.

Molecular Properties

Compound Name3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan
PubChem CID15650118
Molecular FormulaC32H26O2
Molecular Weight442.56 g/mol
Exact Mass442.19
IUPAC Name3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan
SMILESCC1=C(c2ccccc2)OC2(c3ccccc3)C(C)=C(c3ccccc3)OC12c1ccccc1
InChIInChI=1S/C32H26O2/c1-23-29(25-15-7-3-8-16-25)33-32(28-21-13-6-14-22-28)24(2)30(26-17-9-4-10-18-26)34-31(23,32)27-19-11-5-12-20-27/h3-22H,1-2H3
InChIKeyWBXADEJADBYWEG-UHFFFAOYSA-N
XLogP7.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 158550617
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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan?
The IUPAC name of 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan (CID 15650118) is 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan.
What is the SMILES notation for 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan?
The canonical SMILES for 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan is CC1=C(c2ccccc2)OC2(c3ccccc3)C(C)=C(c3ccccc3)OC12c1ccccc1.
What is the InChIKey of 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan?
The InChIKey is WBXADEJADBYWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O2/c1-23-29(25-15-7-3-8-16-25)33-32(28-21-13-6-14-22-28)24(2)30(26-17-9-4-10-18-26)34-31(23,32)27-19-11-5-12-20-27/h3-22H,1-2H3.
What are the key properties of 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan?
3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan has a molecular weight of 442.56 g/mol, XLogP of 7.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2,3a,5,6a-tetraphenylfuro[3,2-b]furan is sourced from PubChem (CID 15650118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).