1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran

C32H20O2 — CID 156553354

IUPAC1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C32H20O2/c1-2-11-21(12-3-1)22-13-4-5-14-23(22)31-24-15-6-7-16-25(24)32(34-31)27-18-10-20-29-30(27)26-17-8-9-19-28(26)33-29/h1-20H
InChIKeyNCKQOZILQTVQGT-UHFFFAOYSA-N
MW436.51 g/mol
LogP9.33
Rot. Bonds3

About 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran

1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran (PubChem CID 156553354) has the molecular formula C32H20O2 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran.

Molecular Properties

Compound Name1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
PubChem CID156553354
Molecular FormulaC32H20O2
Molecular Weight436.51 g/mol
Exact Mass436.15
IUPAC Name1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2oc(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C32H20O2/c1-2-11-21(12-3-1)22-13-4-5-14-23(22)31-24-15-6-7-16-25(24)32(34-31)27-18-10-20-29-30(27)26-17-8-9-19-28(26)33-29/h1-20H
InChIKeyNCKQOZILQTVQGT-UHFFFAOYSA-N
XLogP9.33
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 59.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-diphenylphenyl)-3-(2-phenylphenyl)-2-benzofuran
CID 156553154
1-phenanthren-4-yl-3-(2-phenylphenyl)-2-benzofuran
CID 156553333
1-(2-phenyl-1-benzofuran-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552693
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553127
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
1-[1,2,3,4,5,6,7,8-octamethyl-10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 167347086
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
2-phenyl-1-(3-phenyl-2-benzofuran-1-yl)dibenzofuran
CID 156552811
1-chloro-2-(5-phenylnaphthalen-1-yl)dibenzofuran
CID 174263469
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
The IUPAC name of 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran (CID 156553354) is 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran.
What is the SMILES notation for 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
The canonical SMILES for 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran is c1ccc(-c2ccccc2-c2oc(-c3cccc4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
The InChIKey is NCKQOZILQTVQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O2/c1-2-11-21(12-3-1)22-13-4-5-14-23(22)31-24-15-6-7-16-25(24)32(34-31)27-18-10-20-29-30(27)26-17-8-9-19-28(26)33-29/h1-20H.
What are the key properties of 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran?
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran has a molecular weight of 436.51 g/mol, XLogP of 9.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran is sourced from PubChem (CID 156553354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).