N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline

C52H33NOS — CID 168767167

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-17-39-34(13-1)14-10-23-42(39)43-18-3-6-25-47(43)53(37-31-29-35(30-32-37)41-22-11-24-45-44-19-4-7-26-48(44)54-52(41)45)38-16-9-15-36(33-38)40-21-12-28-50-51(40)46-20-5-8-27-49(46)55-50/h1-33H
InChIKeyDCJRPKMNYIXDFX-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

About N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline

N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline (PubChem CID 168767167) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
PubChem CID168767167
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2cccc3ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-17-39-34(13-1)14-10-23-42(39)43-18-3-6-25-47(43)53(37-31-29-35(30-32-37)41-22-11-24-45-44-19-4-7-26-48(44)54-52(41)45)38-16-9-15-36(33-38)40-21-12-28-50-51(40)46-20-5-8-27-49(46)55-50/h1-33H
InChIKeyDCJRPKMNYIXDFX-UHFFFAOYSA-N
XLogP15.58
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.91
LogP ≤ 515.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-1-amine
CID 170676842
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 167326462
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine
CID 164987719
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)naphthalen-2-amine
CID 170676864
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
N-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767555
N-(3-dibenzofuran-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-1-amine
CID 170535175
N-(4-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzothiophen-1-amine
CID 167324123
N-(4-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172502253

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline (CID 168767167) is N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline is c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccc(-c3cccc4c3oc3ccccc34)cc2)c2ccccc2-c2cccc3ccccc23)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline?
The InChIKey is DCJRPKMNYIXDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-17-39-34(13-1)14-10-23-42(39)43-18-3-6-25-47(43)53(37-31-29-35(30-32-37)41-22-11-24-45-44-19-4-7-26-48(44)54-52(41)45)38-16-9-15-36(33-38)40-21-12-28-50-51(40)46-20-5-8-27-49(46)55-50/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline?
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline has a molecular weight of 719.91 g/mol, XLogP of 15.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline is sourced from PubChem (CID 168767167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).