4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran

C44H28OS — CID 156552973

IUPAC4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2sc(-c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C44H28OS/c1-3-14-29(15-4-1)32-18-7-8-20-37(32)43-38-21-9-10-22-39(38)44(46-43)40-28-31(26-27-33(40)30-16-5-2-6-17-30)34-23-13-24-36-35-19-11-12-25-41(35)45-42(34)36/h1-28H
InChIKeySXADJTWQEWNVLP-UHFFFAOYSA-N
MW604.77 g/mol
LogP13.14
Rot. Bonds5

About 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran

4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran (PubChem CID 156552973) has the molecular formula C44H28OS and a molecular weight of 604.77 g/mol. Its IUPAC name is 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
PubChem CID156552973
Molecular FormulaC44H28OS
Molecular Weight604.77 g/mol
Exact Mass604.19
IUPAC Name4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2ccccc2-c2sc(-c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C44H28OS/c1-3-14-29(15-4-1)32-18-7-8-20-37(32)43-38-21-9-10-22-39(38)44(46-43)40-28-31(26-27-33(40)30-16-5-2-6-17-30)34-23-13-24-36-35-19-11-12-25-41(35)45-42(34)36/h1-28H
InChIKeySXADJTWQEWNVLP-UHFFFAOYSA-N
XLogP13.14
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.77
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
CID 156553127
4-[4-[6-(4-phenylphenyl)naphthalen-2-yl]phenyl]dibenzofuran
CID 170289932
2-(2-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402367
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
4-[6-(6-phenylpyren-1-yl)naphthalen-2-yl]dibenzofuran
CID 58273738
4-[4-(3-chloro-2,5-diphenylphenyl)phenyl]dibenzofuran
CID 167484483
4-(3-dibenzofuran-4-yl-5-phenylphenyl)dibenzofuran
CID 122451689
4-(9,10-diphenylanthracen-2-yl)dibenzofuran
CID 58991794
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725
4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran
CID 143811483
4-[4-[4-[bis[4-(3-phenylphenyl)phenyl]methyl]phenyl]phenyl]dibenzofuran
CID 59136660

Frequently Asked Questions

What is the IUPAC name of 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The IUPAC name of 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran (CID 156552973) is 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran.
What is the SMILES notation for 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The canonical SMILES for 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran is c1ccc(-c2ccccc2-c2sc(-c3cc(-c4cccc5c4oc4ccccc45)ccc3-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The InChIKey is SXADJTWQEWNVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28OS/c1-3-14-29(15-4-1)32-18-7-8-20-37(32)43-38-21-9-10-22-39(38)44(46-43)40-28-31(26-27-33(40)30-16-5-2-6-17-30)34-23-13-24-36-35-19-11-12-25-41(35)45-42(34)36/h1-28H.
What are the key properties of 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran has a molecular weight of 604.77 g/mol, XLogP of 13.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-phenyl-3-[3-(2-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran is sourced from PubChem (CID 156552973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).