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

C44H28OS — CID 156553232

IUPAC2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3sc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H28OS/c1-3-13-29(14-4-1)31-17-11-18-33(27-31)43-36-20-7-8-21-37(36)44(46-43)38-23-12-22-34(42(38)30-15-5-2-6-16-30)32-25-26-41-39(28-32)35-19-9-10-24-40(35)45-41/h1-28H
InChIKeyHGLUBQKFEKTHJM-UHFFFAOYSA-N
MW604.77 g/mol
LogP13.14
Rot. Bonds5

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

2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran (PubChem CID 156553232) has the molecular formula C44H28OS and a molecular weight of 604.77 g/mol. Its IUPAC name is 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran.

Molecular Properties

Compound Name2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
PubChem CID156553232
Molecular FormulaC44H28OS
Molecular Weight604.77 g/mol
Exact Mass604.19
IUPAC Name2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran
SMILESc1ccc(-c2cccc(-c3sc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4-c4ccccc4)c4ccccc34)c2)cc1
InChIInChI=1S/C44H28OS/c1-3-13-29(14-4-1)31-17-11-18-33(27-31)43-36-20-7-8-21-37(36)44(46-43)38-23-12-22-34(42(38)30-15-5-2-6-16-30)32-25-26-41-39(28-32)35-19-9-10-24-40(35)45-41/h1-28H
InChIKeyHGLUBQKFEKTHJM-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

2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
2-[3-(4-dibenzofuran-2-ylphenyl)-2-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 174327330
2-[3-(9,10-diphenylanthracen-2-yl)-5-(3-phenylphenyl)phenyl]dibenzofuran
CID 58261864
2-[4-[4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]phenyl]dibenzofuran
CID 59866524
2-[2-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)phenyl]dibenzofuran;2-[3-phenyl-4-(3-phenyl-2-benzothiophen-1-yl)phenyl]dibenzofuran;2-[4-phenyl-3-(3-phenyl-2-benzothiophen-1-yl)phenyl]dibenzofuran;9-phenyl-1-[3-phenyl-2-(3-phenyl-2-benzothiophen-1-yl)phenyl]carbazole
CID 158831031
2-dibenzofuran-2-yl-4-(2,3-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297262
2-[4-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
2-[2-[10-(4-dibenzofuran-2-ylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58536204
2-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 135208803
6-[3-(10-phenylanthracen-9-yl)phenyl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 122415782
3-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylbenzonitrile
CID 146354418
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079224

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The IUPAC name of 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran (CID 156553232) is 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran.
What is the SMILES notation for 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The canonical SMILES for 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran is c1ccc(-c2cccc(-c3sc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4-c4ccccc4)c4ccccc34)c2)cc1.
What is the InChIKey of 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
The InChIKey is HGLUBQKFEKTHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28OS/c1-3-13-29(14-4-1)31-17-11-18-33(27-31)43-36-20-7-8-21-37(36)44(46-43)38-23-12-22-34(42(38)30-15-5-2-6-16-30)32-25-26-41-39(28-32)35-19-9-10-24-40(35)45-41/h1-28H.
What are the key properties of 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran?
2-[2-phenyl-3-[3-(3-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 2-[2-phenyl-3-[3-(3-phenylphenyl)-2-benzothiophen-1-yl]phenyl]dibenzofuran is sourced from PubChem (CID 156553232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).