2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran

C26H16Br2O2 — CID 70901431

IUPAC2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran
SMILESBrc1ccc2c(c1)OC1(c3ccccc3)c3ccc(Br)cc3OC21c1ccccc1
InChIInChI=1S/C26H16Br2O2/c27-19-11-13-21-23(15-19)30-26(18-9-5-2-6-10-18)22-14-12-20(28)16-24(22)29-25(21,26)17-7-3-1-4-8-17/h1-16H
InChIKeyXYBJPCUAHYJKIA-UHFFFAOYSA-N
MW520.22 g/mol
LogP7.18
Rot. Bonds2

About 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran

2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran (PubChem CID 70901431) has the molecular formula C26H16Br2O2 and a molecular weight of 520.22 g/mol. Its IUPAC name is 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran.

Molecular Properties

Compound Name2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran
PubChem CID70901431
Molecular FormulaC26H16Br2O2
Molecular Weight520.22 g/mol
Exact Mass517.95
IUPAC Name2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran
SMILESBrc1ccc2c(c1)OC1(c3ccccc3)c3ccc(Br)cc3OC21c1ccccc1
InChIInChI=1S/C26H16Br2O2/c27-19-11-13-21-23(15-19)30-26(18-9-5-2-6-10-18)22-14-12-20(28)16-24(22)29-25(21,26)17-7-3-1-4-8-17/h1-16H
InChIKeyXYBJPCUAHYJKIA-UHFFFAOYSA-N
XLogP7.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.22
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran?
The IUPAC name of 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran (CID 70901431) is 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran.
What is the SMILES notation for 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran?
The canonical SMILES for 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran is Brc1ccc2c(c1)OC1(c3ccccc3)c3ccc(Br)cc3OC21c1ccccc1.
What is the InChIKey of 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran?
The InChIKey is XYBJPCUAHYJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Br2O2/c27-19-11-13-21-23(15-19)30-26(18-9-5-2-6-10-18)22-14-12-20(28)16-24(22)29-25(21,26)17-7-3-1-4-8-17/h1-16H.
What are the key properties of 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran?
2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran has a molecular weight of 520.22 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-4b,9b-diphenyl-[1]benzofuro[3,2-b][1]benzofuran is sourced from PubChem (CID 70901431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).