7-iodo-2,3-diphenyl-1-benzofuran

C20H13IO — CID 633887

IUPAC7-iodo-2,3-diphenyl-1-benzofuran
SMILESIc1cccc2c(-c3ccccc3)c(-c3ccccc3)oc12
InChIInChI=1S/C20H13IO/c21-17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13H
InChIKeyBPMVFJXYCNWIGC-UHFFFAOYSA-N
MW396.23 g/mol
LogP6.37
Rot. Bonds2

About 7-iodo-2,3-diphenyl-1-benzofuran

7-iodo-2,3-diphenyl-1-benzofuran (PubChem CID 633887) has the molecular formula C20H13IO and a molecular weight of 396.23 g/mol. Its IUPAC name is 7-iodo-2,3-diphenyl-1-benzofuran.

Molecular Properties

Compound Name7-iodo-2,3-diphenyl-1-benzofuran
PubChem CID633887
Molecular FormulaC20H13IO
Molecular Weight396.23 g/mol
Exact Mass396.00
IUPAC Name7-iodo-2,3-diphenyl-1-benzofuran
SMILESIc1cccc2c(-c3ccccc3)c(-c3ccccc3)oc12
InChIInChI=1S/C20H13IO/c21-17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13H
InChIKeyBPMVFJXYCNWIGC-UHFFFAOYSA-N
XLogP6.37
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.23
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-[10-(2,3-diphenyl-1-benzofuran-7-yl)anthracen-9-yl]-2,3-diphenyl-1-benzofuran
CID 58239715
4,8-bis(4-naphthalen-1-ylphenyl)-2,3,6,7-tetraphenylfuro[2,3-f][1]benzofuran
CID 58160893
2,4-diphenyl-5-[3-(10-phenylanthracen-9-yl)phenyl]-1-(4-phenylphenyl)benzo[e][1]benzofuran
CID 58340427
2-phenyl-3-[10-(4-phenylphenyl)anthracen-9-yl]-[1]benzofuro[2,3-g][1]benzofuran
CID 176743927
3-phenyl-2-(10-phenylanthracen-9-yl)-[1]benzofuro[2,3-g][1]benzofuran
CID 174267471
6-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-2,3-diphenylfuro[3,2-c]carbazole
CID 118228116
2-[4-(3-aminoazetidin-3-yl)phenyl]-3-phenyl-1-benzofuran-7-carbonitrile
CID 52933502
1,2-diphenyl-4-[3-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]furo[2,3-c]quinoline
CID 164716835
1-iodo-10-phenylanthracene
CID 141156342
3-iodo-5-methyl-2-phenylfuran
CID 10945971
5-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1,2,4-triphenylbenzo[e][1]benzofuran
CID 58340453
N-phenyl-N-[4-(3-phenylphenanthro[9,10-b]furan-2-yl)phenyl]-4-(3-phenylphenyl)aniline
CID 155105491

Frequently Asked Questions

What is the IUPAC name of 7-iodo-2,3-diphenyl-1-benzofuran?
The IUPAC name of 7-iodo-2,3-diphenyl-1-benzofuran (CID 633887) is 7-iodo-2,3-diphenyl-1-benzofuran.
What is the SMILES notation for 7-iodo-2,3-diphenyl-1-benzofuran?
The canonical SMILES for 7-iodo-2,3-diphenyl-1-benzofuran is Ic1cccc2c(-c3ccccc3)c(-c3ccccc3)oc12.
What is the InChIKey of 7-iodo-2,3-diphenyl-1-benzofuran?
The InChIKey is BPMVFJXYCNWIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13IO/c21-17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 7-iodo-2,3-diphenyl-1-benzofuran?
7-iodo-2,3-diphenyl-1-benzofuran has a molecular weight of 396.23 g/mol, XLogP of 6.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-2,3-diphenyl-1-benzofuran is sourced from PubChem (CID 633887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).