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

C52H33NOS — CID 167325488

IUPACN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-13-40-34(11-1)12-9-17-41(40)35-23-28-38(29-24-35)53(39-30-25-36(26-31-39)43-18-10-19-47-44-15-4-7-21-49(44)54-52(43)47)48-20-6-3-14-42(48)37-27-32-46-45-16-5-8-22-50(45)55-51(46)33-37/h1-33H
InChIKeyDFIXSSUJFILFES-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline (PubChem CID 167325488) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline
PubChem CID167325488
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline
SMILESc1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-13-40-34(11-1)12-9-17-41(40)35-23-28-38(29-24-35)53(39-30-25-36(26-31-39)43-18-10-19-47-44-15-4-7-21-49(44)54-52(43)47)48-20-6-3-14-42(48)37-27-32-46-45-16-5-8-22-50(45)55-51(46)33-37/h1-33H
InChIKeyDFIXSSUJFILFES-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)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325453
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 167326462
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 163499042
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766912
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
2-(3-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 126709649
N-(4-dibenzofuran-4-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-3-amine
CID 172502531
N-(4-naphthalen-1-ylphenyl)-N-(2-naphtho[1,2-b][1]benzofuran-8-ylphenyl)dibenzothiophen-2-amine
CID 174292259
N-(4-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767167
2-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 167324733
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline
CID 163594964

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline (CID 167325488) is N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline is c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3cccc4c3oc3ccccc34)cc2)c(-c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline?
The InChIKey is DFIXSSUJFILFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-13-40-34(11-1)12-9-17-41(40)35-23-28-38(29-24-35)53(39-30-25-36(26-31-39)43-18-10-19-47-44-15-4-7-21-49(44)54-52(43)47)48-20-6-3-14-42(48)37-27-32-46-45-16-5-8-22-50(45)55-51(46)33-37/h1-33H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline?
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline 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)-2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 167325488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).