3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline

C54H33NOS2 — CID 118428297

IUPAC3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C54H33NOS2/c1-4-19-49-43(12-1)48-33-37(26-31-50(48)56-49)36-10-7-11-40(32-36)55(38-27-22-34(23-28-38)41-15-8-17-46-44-13-2-5-20-51(44)57-53(41)46)39-29-24-35(25-30-39)42-16-9-18-47-45-14-3-6-21-52(45)58-54(42)47/h1-33H
InChIKeyREGRDEMFLJSNKB-UHFFFAOYSA-N
MW776.00 g/mol
LogP16.79
Rot. Bonds6

About 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline

3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline (PubChem CID 118428297) has the molecular formula C54H33NOS2 and a molecular weight of 776.00 g/mol. Its IUPAC name is 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
PubChem CID118428297
Molecular FormulaC54H33NOS2
Molecular Weight776.00 g/mol
Exact Mass775.20
IUPAC Name3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline
SMILESc1cc(-c2ccc3oc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1
InChIInChI=1S/C54H33NOS2/c1-4-19-49-43(12-1)48-33-37(26-31-50(48)56-49)36-10-7-11-40(32-36)55(38-27-22-34(23-28-38)41-15-8-17-46-44-13-2-5-20-51(44)57-53(41)46)39-29-24-35(25-30-39)42-16-9-18-47-45-14-3-6-21-52(45)58-54(42)47/h1-33H
InChIKeyREGRDEMFLJSNKB-UHFFFAOYSA-N
XLogP16.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.00
LogP ≤ 516.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-(3-dibenzothiophen-4-ylphenyl)aniline
CID 118428359
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-2-yl-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118428274
N-(4-dibenzofuran-2-ylphenyl)-3-dibenzothiophen-4-yl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 118428221
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 170535193
3-dibenzofuran-2-yl-N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 170535112
N-(3-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-3-(4-tritylphenyl)aniline
CID 148653101
N-(4-dibenzothiophen-4-ylphenyl)-N-(4-naphtho[2,1-b][1]benzofuran-2-ylphenyl)-3-phenylaniline
CID 170031800
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
1-N-dibenzofuran-2-yl-3-N-dibenzothiophen-2-yl-5-N-(4-dibenzothiophen-4-ylphenyl)-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118605120
N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)dibenzofuran-2-amine
CID 168766755
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 168766762
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline (CID 118428297) is 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline is c1cc(-c2ccc3oc4ccccc4c3c2)cc(N(c2ccc(-c3cccc4c3sc3ccccc34)cc2)c2ccc(-c3cccc4c3sc3ccccc34)cc2)c1.
What is the InChIKey of 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline?
The InChIKey is REGRDEMFLJSNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33NOS2/c1-4-19-49-43(12-1)48-33-37(26-31-50(48)56-49)36-10-7-11-40(32-36)55(38-27-22-34(23-28-38)41-15-8-17-46-44-13-2-5-20-51(44)57-53(41)46)39-29-24-35(25-30-39)42-16-9-18-47-45-14-3-6-21-52(45)58-54(42)47/h1-33H.
What are the key properties of 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline?
3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline has a molecular weight of 776.00 g/mol, XLogP of 16.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-2-yl-N,N-bis(4-dibenzothiophen-4-ylphenyl)aniline is sourced from PubChem (CID 118428297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).