1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran

C38H26O — CID 156553154

IUPAC1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H26O/c1-4-15-27(16-5-1)30-21-10-11-22-33(30)37-34-23-12-13-24-35(34)38(39-37)36-31(28-17-6-2-7-18-28)25-14-26-32(36)29-19-8-3-9-20-29/h1-26H
InChIKeyXDTIRNSNVHHYAO-UHFFFAOYSA-N
MW498.63 g/mol
LogP10.77
Rot. Bonds5

About 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran

1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran (PubChem CID 156553154) has the molecular formula C38H26O and a molecular weight of 498.63 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran.

Molecular Properties

Compound Name1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
PubChem CID156553154
Molecular FormulaC38H26O
Molecular Weight498.63 g/mol
Exact Mass498.20
IUPAC Name1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H26O/c1-4-15-27(16-5-1)30-21-10-11-22-33(30)37-34-23-12-13-24-35(34)38(39-37)36-31(28-17-6-2-7-18-28)25-14-26-32(36)29-19-8-3-9-20-29/h1-26H
InChIKeyXDTIRNSNVHHYAO-UHFFFAOYSA-N
XLogP10.77
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552693
1-(2,3-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,4-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,5-diphenylphenyl)-3-phenyl-2-benzofuran;1-(2,6-diphenylphenyl)-3-phenyl-2-benzofuran;1-phenyl-3-(2-phenylphenyl)-2-benzofuran
CID 162013134
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
CID 156553333
1-(3-phenyldibenzothiophen-4-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552681
2-phenyl-1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]indolizine
CID 156552702
1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552692
9-[2-phenyl-3-[3-(2-phenylphenyl)-2-benzofuran-1-yl]phenyl]carbazole
CID 156553068
2-[3-(2-phenylphenyl)-2-benzofuran-1-yl]pyridine
CID 156552730
9-[3-phenyl-2-(3-phenyl-2-benzofuran-1-yl)phenyl]carbazole
CID 156552970
1-(3-phenylphenyl)-3-(2,4,6-triphenylphenyl)-2-benzofuran
CID 156553370
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran?
The IUPAC name of 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran (CID 156553154) is 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran.
What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran?
The canonical SMILES for 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran is c1ccc(-c2ccccc2-c2oc(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran?
The InChIKey is XDTIRNSNVHHYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26O/c1-4-15-27(16-5-1)30-21-10-11-22-33(30)37-34-23-12-13-24-35(34)38(39-37)36-31(28-17-6-2-7-18-28)25-14-26-32(36)29-19-8-3-9-20-29/h1-26H.
What are the key properties of 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran?
1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran has a molecular weight of 498.63 g/mol, XLogP of 10.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran is sourced from PubChem (CID 156553154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).