3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline

C55H34N2O2S — CID 167124820

IUPAC3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)c3cccc(-c4cccc5sc6ccccc6c45)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(33-43)44-18-10-20-51-52(44)45-17-7-8-19-50(45)60-51)42-28-23-37(24-29-42)39-25-31-48-46(34-39)53-49(58-48)32-30-47-54(53)59-55(56-47)38-13-5-2-6-14-38/h1-34H
InChIKeyFPLGBCJQAFEYSY-UHFFFAOYSA-N
MW786.96 g/mol
LogP16.23
Rot. Bonds7

About 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline

3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 167124820) has the molecular formula C55H34N2O2S and a molecular weight of 786.96 g/mol. Its IUPAC name is 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID167124820
Molecular FormulaC55H34N2O2S
Molecular Weight786.96 g/mol
Exact Mass786.23
IUPAC Name3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)c3cccc(-c4cccc5sc6ccccc6c45)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(33-43)44-18-10-20-51-52(44)45-17-7-8-19-50(45)60-51)42-28-23-37(24-29-42)39-25-31-48-46(34-39)53-49(58-48)32-30-47-54(53)59-55(56-47)38-13-5-2-6-14-38/h1-34H
InChIKeyFPLGBCJQAFEYSY-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-(4-naphthalen-1-ylphenyl)-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167124823
2-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)-[1]benzofuro[2,3-g][1,3]benzoxazol-9-amine
CID 167124553
N-phenyl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 167123049
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]dibenzothiophen-3-amine
CID 167123703
N-(4-dibenzothiophen-1-ylphenyl)-N,2-diphenylbenzo[g][1,3]benzoxazol-7-amine
CID 171410430
N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-8-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 167123231
N-dibenzothiophen-2-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-7-yl)phenyl]dibenzothiophen-2-amine
CID 170395497
N-(3-phenylphenyl)-N-[3-[2-(4-phenylphenyl)benzo[g][1,3]benzoxazol-8-yl]phenyl]dibenzothiophen-1-amine
CID 171410312
3-dibenzothiophen-4-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123440
N-[4-(2-phenyl-1,3-benzoxazol-7-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 176785597
N-(3-dibenzothiophen-2-ylphenyl)-N,2-diphenylnaphtho[2,1-g][1,3]benzoxazol-9-amine
CID 174324049
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053

Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 167124820) is 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccc5oc6ccc7nc(-c8ccccc8)oc7c6c5c4)cc3)c3cccc(-c4cccc5sc6ccccc6c45)c3)cc2)cc1.
What is the InChIKey of 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is FPLGBCJQAFEYSY-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(33-43)44-18-10-20-51-52(44)45-17-7-8-19-50(45)60-51)42-28-23-37(24-29-42)39-25-31-48-46(34-39)53-49(58-48)32-30-47-54(53)59-55(56-47)38-13-5-2-6-14-38/h1-34H.
What are the key properties of 3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
3-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-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-dibenzothiophen-1-yl-N-[4-(2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 167124820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).