1,3,4,5,6,7-hexakis-phenyl-2-benzofuran

C44H30O — CID 15757557

IUPAC1,3,4,5,6,7-hexakis-phenyl-2-benzofuran
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(-c4ccccc4)oc(-c4ccccc4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H30O/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42-41(39(37)33-23-11-3-12-24-33)43(35-27-15-5-16-28-35)45-44(42)36-29-17-6-18-30-36/h1-30H
InChIKeyVVOWZLWGURDTND-UHFFFAOYSA-N
MW574.72 g/mol
LogP12.43
Rot. Bonds6

About 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran

1,3,4,5,6,7-hexakis-phenyl-2-benzofuran (PubChem CID 15757557) has the molecular formula C44H30O and a molecular weight of 574.72 g/mol. Its IUPAC name is 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran.

Molecular Properties

Compound Name1,3,4,5,6,7-hexakis-phenyl-2-benzofuran
PubChem CID15757557
Molecular FormulaC44H30O
Molecular Weight574.72 g/mol
Exact Mass574.23
IUPAC Name1,3,4,5,6,7-hexakis-phenyl-2-benzofuran
SMILESc1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(-c4ccccc4)oc(-c4ccccc4)c3c2-c2ccccc2)cc1
InChIInChI=1S/C44H30O/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42-41(39(37)33-23-11-3-12-24-33)43(35-27-15-5-16-28-35)45-44(42)36-29-17-6-18-30-36/h1-30H
InChIKeyVVOWZLWGURDTND-UHFFFAOYSA-N
XLogP12.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.72
LogP ≤ 512.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran?
The IUPAC name of 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran (CID 15757557) is 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran.
What is the SMILES notation for 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran?
The canonical SMILES for 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran is c1ccc(-c2c(-c3ccccc3)c(-c3ccccc3)c3c(-c4ccccc4)oc(-c4ccccc4)c3c2-c2ccccc2)cc1.
What is the InChIKey of 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran?
The InChIKey is VVOWZLWGURDTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30O/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42-41(39(37)33-23-11-3-12-24-33)43(35-27-15-5-16-28-35)45-44(42)36-29-17-6-18-30-36/h1-30H.
What are the key properties of 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran?
1,3,4,5,6,7-hexakis-phenyl-2-benzofuran has a molecular weight of 574.72 g/mol, XLogP of 12.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7-hexakis-phenyl-2-benzofuran is sourced from PubChem (CID 15757557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).