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

C60H39NOS — CID 170666001

IUPAC3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc5c(c4)oc4ccccc45)cccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C60H39NOS/c1-3-14-40(15-4-1)42-28-30-43(31-29-42)60-50(47-32-34-52-51-22-7-9-26-56(51)62-57(52)39-47)24-13-25-55(60)61(48-20-11-18-44(36-48)41-16-5-2-6-17-41)49-21-12-19-45(37-49)46-33-35-59-54(38-46)53-23-8-10-27-58(53)63-59/h1-39H
InChIKeyOCQZHFDFQXYSGM-UHFFFAOYSA-N
MW822.05 g/mol
LogP17.76
Rot. Bonds8

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

3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (PubChem CID 170666001) has the molecular formula C60H39NOS and a molecular weight of 822.05 g/mol. Its IUPAC name is 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.

Molecular Properties

Compound Name3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
PubChem CID170666001
Molecular FormulaC60H39NOS
Molecular Weight822.05 g/mol
Exact Mass821.28
IUPAC Name3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(-c3c(-c4ccc5c(c4)oc4ccccc45)cccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc2)cc1
InChIInChI=1S/C60H39NOS/c1-3-14-40(15-4-1)42-28-30-43(31-29-42)60-50(47-32-34-52-51-22-7-9-26-56(51)62-57(52)39-47)24-13-25-55(60)61(48-20-11-18-44(36-48)41-16-5-2-6-17-41)49-21-12-19-45(37-49)46-33-35-59-54(38-46)53-23-8-10-27-58(53)63-59/h1-39H
InChIKeyOCQZHFDFQXYSGM-UHFFFAOYSA-N
XLogP17.76
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500822.05
LogP ≤ 517.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-dibenzofuran-3-yl-2-phenylphenyl)-N-naphthalen-2-yldibenzothiophen-2-amine
CID 170665599
N-[3-dibenzothiophen-2-yl-2-(3-phenylphenyl)phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 170666103
N-(2-dibenzofuran-3-yl-3-phenylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167293286
2-dibenzofuran-3-yl-3-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)aniline
CID 170665632
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168788545
N-[2-dibenzothiophen-2-yl-3-(4-phenylphenyl)phenyl]-N-(2-phenylphenyl)dibenzofuran-2-amine
CID 170666297
N-(3-dibenzothiophen-2-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073444
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
8-(6-dibenzofuran-3-yldibenzofuran-2-yl)-N-phenyl-N-(3-phenylphenyl)dibenzothiophen-3-amine
CID 174244859
N-(3-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-1-amine
CID 164950019
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186592

Frequently Asked Questions

What is the IUPAC name of 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The IUPAC name of 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline (CID 170666001) is 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline.
What is the SMILES notation for 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The canonical SMILES for 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is c1ccc(-c2ccc(-c3c(-c4ccc5c(c4)oc4ccccc45)cccc3N(c3cccc(-c4ccccc4)c3)c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc2)cc1.
What is the InChIKey of 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
The InChIKey is OCQZHFDFQXYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H39NOS/c1-3-14-40(15-4-1)42-28-30-43(31-29-42)60-50(47-32-34-52-51-22-7-9-26-56(51)62-57(52)39-47)24-13-25-55(60)61(48-20-11-18-44(36-48)41-16-5-2-6-17-41)49-21-12-19-45(37-49)46-33-35-59-54(38-46)53-23-8-10-27-58(53)63-59/h1-39H.
What are the key properties of 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline?
3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline has a molecular weight of 822.05 g/mol, XLogP of 17.76, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzofuran-3-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline is sourced from PubChem (CID 170666001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).