3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline

C55H34N2O2S — CID 171455497

IUPAC3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4cc6nc(-c7ccccc7)oc6cc45)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C55H34N2O2S/c1-3-11-35(12-4-1)36-21-26-41(27-22-36)57(43-16-9-15-40(31-43)44-18-10-19-47-45-17-7-8-20-50(45)58-54(44)47)42-28-23-37(24-29-42)39-25-30-46-48-33-51-49(34-53(48)60-52(46)32-39)56-55(59-51)38-13-5-2-6-14-38/h1-34H
InChIKeyZOENSFGCGOMIPL-UHFFFAOYSA-N
MW786.96 g/mol
LogP16.23
Rot. Bonds7

About 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline

3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 171455497) has the molecular formula C55H34N2O2S and a molecular weight of 786.96 g/mol. Its IUPAC name is 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID171455497
Molecular FormulaC55H34N2O2S
Molecular Weight786.96 g/mol
Exact Mass786.23
IUPAC Name3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4cc6nc(-c7ccccc7)oc6cc45)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1
InChIInChI=1S/C55H34N2O2S/c1-3-11-35(12-4-1)36-21-26-41(27-22-36)57(43-16-9-15-40(31-43)44-18-10-19-47-45-17-7-8-20-50(45)58-54(44)47)42-28-23-37(24-29-42)39-25-30-46-48-33-51-49(34-53(48)60-52(46)32-39)56-55(59-51)38-13-5-2-6-14-38/h1-34H
InChIKeyZOENSFGCGOMIPL-UHFFFAOYSA-N
XLogP16.23
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500786.96
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-dibenzothiophen-3-yl-2-phenyl-N-(3-phenylphenyl)-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-amine
CID 171456458
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzofuran-3-amine
CID 171455606
4-naphthalen-1-yl-3-phenyl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(3-phenylphenyl)aniline
CID 171455953
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
3-phenyl-4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 171455668
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)-3-naphthalen-2-ylaniline
CID 167324054
N-phenyl-N-[4-(2-phenyl-[1]benzothiolo[3,2-f][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 171455633
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[3,2-f][1,3]benzoxazol-8-yl)phenyl]dibenzofuran-3-amine
CID 170776922
N-dibenzothiophen-3-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-f][1,3]benzoxazol-6-yl)phenyl]dibenzothiophen-3-amine
CID 167127731
N-dibenzothiophen-3-yl-N,2-diphenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-6-amine
CID 171455127
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[3,2-e][1,3]benzothiazol-8-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 171411656

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 171455497) is 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5c(c4)sc4cc6nc(-c7ccccc7)oc6cc45)cc3)c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is ZOENSFGCGOMIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H34N2O2S/c1-3-11-35(12-4-1)36-21-26-41(27-22-36)57(43-16-9-15-40(31-43)44-18-10-19-47-45-17-7-8-20-50(45)58-54(44)47)42-28-23-37(24-29-42)39-25-30-46-48-33-51-49(34-53(48)60-52(46)32-39)56-55(59-51)38-13-5-2-6-14-38/h1-34H.
What are the key properties of 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline?
3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 786.96 g/mol, XLogP of 16.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-4-yl-N-[4-(2-phenyl-[1]benzothiolo[2,3-f][1,3]benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 171455497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).