2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran

C36H24O3 — CID 20758324

IUPAC2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)o4)cc(-c4ccc(-c5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C36H24O3/c1-4-10-25(11-5-1)31-16-19-34(37-31)28-22-29(35-20-17-32(38-35)26-12-6-2-7-13-26)24-30(23-28)36-21-18-33(39-36)27-14-8-3-9-15-27/h1-24H
InChIKeyBQSYGJPSNIYWCQ-UHFFFAOYSA-N
MW504.59 g/mol
LogP10.47
Rot. Bonds6

About 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran

2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran (PubChem CID 20758324) has the molecular formula C36H24O3 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran.

Molecular Properties

Compound Name2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran
PubChem CID20758324
Molecular FormulaC36H24O3
Molecular Weight504.59 g/mol
Exact Mass504.17
IUPAC Name2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)o4)cc(-c4ccc(-c5ccccc5)o4)c3)o2)cc1
InChIInChI=1S/C36H24O3/c1-4-10-25(11-5-1)31-16-19-34(37-31)28-22-29(35-20-17-32(38-35)26-12-6-2-7-13-26)24-30(23-28)36-21-18-33(39-36)27-14-8-3-9-15-27/h1-24H
InChIKeyBQSYGJPSNIYWCQ-UHFFFAOYSA-N
XLogP10.47
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 510.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran?
The IUPAC name of 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran (CID 20758324) is 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran.
What is the SMILES notation for 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran?
The canonical SMILES for 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)o4)cc(-c4ccc(-c5ccccc5)o4)c3)o2)cc1.
What is the InChIKey of 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran?
The InChIKey is BQSYGJPSNIYWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24O3/c1-4-10-25(11-5-1)31-16-19-34(37-31)28-22-29(35-20-17-32(38-35)26-12-6-2-7-13-26)24-30(23-28)36-21-18-33(39-36)27-14-8-3-9-15-27/h1-24H.
What are the key properties of 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran?
2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran has a molecular weight of 504.59 g/mol, XLogP of 10.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(5-phenylfuran-2-yl)phenyl]-5-phenylfuran is sourced from PubChem (CID 20758324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).