1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran

C38H24OS — CID 156553127

IUPAC1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3cccc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C38H24OS/c1-2-13-25(14-3-1)26-15-4-6-17-29(26)37-31-19-8-9-20-32(31)38(40-37)30-18-7-5-16-27(30)28-22-12-24-35-36(28)33-21-10-11-23-34(33)39-35/h1-24H
InChIKeySOIXXKKIVJKVTO-UHFFFAOYSA-N
MW528.68 g/mol
LogP11.47
Rot. Bonds4

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

1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran (PubChem CID 156553127) has the molecular formula C38H24OS and a molecular weight of 528.68 g/mol. Its IUPAC name is 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
PubChem CID156553127
Molecular FormulaC38H24OS
Molecular Weight528.68 g/mol
Exact Mass528.15
IUPAC Name1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3cccc4oc5ccccc5c34)c3ccccc23)cc1
InChIInChI=1S/C38H24OS/c1-2-13-25(14-3-1)26-15-4-6-17-29(26)37-31-19-8-9-20-32(31)38(40-37)30-18-7-5-16-27(30)28-22-12-24-35-36(28)33-21-10-11-23-34(33)39-35/h1-24H
InChIKeySOIXXKKIVJKVTO-UHFFFAOYSA-N
XLogP11.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.68
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-phenylnaphthalen-1-yl)-3-(2-phenylphenyl)-2-benzothiophene
CID 156552708
1-[2-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 174297045
1-[3-(2-phenylphenyl)-2-benzofuran-1-yl]dibenzofuran
CID 156553354
4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156552973
2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-(2-phenylphenyl)-3-(3-phenylphenyl)-2-benzothiophene
CID 156553110
N-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 121312036
1-(5-naphthalen-1-yl-8-phenylbenzo[10]annulen-12-yl)dibenzofuran
CID 171421142
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
N-[4-(4-dibenzofuran-1-yl-3-phenylphenyl)phenyl]-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 164831812

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The IUPAC name of 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran (CID 156553127) is 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran.
What is the SMILES notation for 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The canonical SMILES for 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran is c1ccc(-c2ccccc2-c2sc(-c3ccccc3-c3cccc4oc5ccccc5c34)c3ccccc23)cc1.
What is the InChIKey of 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The InChIKey is SOIXXKKIVJKVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H24OS/c1-2-13-25(14-3-1)26-15-4-6-17-29(26)37-31-19-8-9-20-32(31)38(40-37)30-18-7-5-16-27(30)28-22-12-24-35-36(28)33-21-10-11-23-34(33)39-35/h1-24H.
What are the key properties of 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran has a molecular weight of 528.68 g/mol, XLogP of 11.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran is sourced from PubChem (CID 156553127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).