N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine

C54H35NOS — CID 170666297

IUPACN-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc4)c3-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-14-36(15-4-1)37-26-28-39(29-27-37)43-21-13-23-49(54(43)40-30-33-53-47(34-40)45-20-9-12-25-52(45)57-53)55(48-22-10-7-18-42(48)38-16-5-2-6-17-38)41-31-32-51-46(35-41)44-19-8-11-24-50(44)56-51/h1-35H
InChIKeyLMGDIAHSXUZPSO-UHFFFAOYSA-N
MW745.95 g/mol
LogP16.09
Rot. Bonds7

About N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine

N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine (PubChem CID 170666297) has the molecular formula C54H35NOS and a molecular weight of 745.95 g/mol. Its IUPAC name is N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine.

Molecular Properties

Compound NameN-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
PubChem CID170666297
Molecular FormulaC54H35NOS
Molecular Weight745.95 g/mol
Exact Mass745.24
IUPAC NameN-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
SMILESc1ccc(-c2ccc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc4)c3-c3ccc4sc5ccccc5c4c3)cc2)cc1
InChIInChI=1S/C54H35NOS/c1-3-14-36(15-4-1)37-26-28-39(29-27-37)43-21-13-23-49(54(43)40-30-33-53-47(34-40)45-20-9-12-25-52(45)57-53)55(48-22-10-7-18-42(48)38-16-5-2-6-17-38)41-31-32-51-46(35-41)44-19-8-11-24-50(44)56-51/h1-35H
InChIKeyLMGDIAHSXUZPSO-UHFFFAOYSA-N
XLogP16.09
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.95
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzothiophen-3-yl-2-phenylphenyl)-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170665574
N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
CID 170665860
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170666103
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
N-dibenzothiophen-2-yl-N-phenyl-8-[4-[2-(N-phenylanilino)phenyl]phenyl]dibenzofuran-3-amine
CID 155172831
3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170666001
N-(2-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186597
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(4-dibenzothiophen-1-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 172503042
N-dibenzothiophen-2-yl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-4-amine;N-dibenzothiophen-2-yl-N-(4-triphenylen-2-ylphenyl)dibenzofuran-4-amine
CID 163977940

Frequently Asked Questions

What is the IUPAC name of N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The IUPAC name of N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine (CID 170666297) is N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine.
What is the SMILES notation for N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The canonical SMILES for N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine is c1ccc(-c2ccc(-c3cccc(N(c4ccc5oc6ccccc6c5c4)c4ccccc4-c4ccccc4)c3-c3ccc4sc5ccccc5c4c3)cc2)cc1.
What is the InChIKey of N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
The InChIKey is LMGDIAHSXUZPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35NOS/c1-3-14-36(15-4-1)37-26-28-39(29-27-37)43-21-13-23-49(54(43)40-30-33-53-47(34-40)45-20-9-12-25-52(45)57-53)55(48-22-10-7-18-42(48)38-16-5-2-6-17-38)41-31-32-51-46(35-41)44-19-8-11-24-50(44)56-51/h1-35H.
What are the key properties of N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine?
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine has a molecular weight of 745.95 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine is sourced from PubChem (CID 170666297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).