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

C52H33NOS — CID 168767680

IUPACN-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-c3ccc4c(c3)sc3ccccc34)c2)c2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NOS/c1-2-12-35-29-40(24-23-34(35)11-1)43-17-3-6-20-48(43)53(41-15-9-13-36(30-41)38-25-27-45-44-18-4-7-21-49(44)54-50(45)32-38)42-16-10-14-37(31-42)39-26-28-47-46-19-5-8-22-51(46)55-52(47)33-39/h1-33H
InChIKeyAFQSHMJBKUPMKG-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline (PubChem CID 168767680) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
PubChem CID168767680
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-c3ccc4c(c3)sc3ccccc34)c2)c2ccccc2-c2ccc3ccccc3c2)c1
InChIInChI=1S/C52H33NOS/c1-2-12-35-29-40(24-23-34(35)11-1)43-17-3-6-20-48(43)53(41-15-9-13-36(30-41)38-25-27-45-44-18-4-7-21-49(44)54-50(45)32-38)42-16-10-14-37(31-42)39-26-28-47-46-19-5-8-22-51(46)55-52(47)33-39/h1-33H
InChIKeyAFQSHMJBKUPMKG-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-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-(3-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766912
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767527
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(3-dibenzofuran-3-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzothiophen-3-amine
CID 167234545
N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-yl-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767557
2-dibenzothiophen-3-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326431
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(3-dibenzothiophen-3-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-2-ylaniline
CID 168766635
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324576

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline?
The IUPAC name of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline (CID 168767680) is N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline.
What is the SMILES notation for N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline?
The canonical SMILES for N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline is c1cc(-c2ccc3c(c2)oc2ccccc23)cc(N(c2cccc(-c3ccc4c(c3)sc3ccccc34)c2)c2ccccc2-c2ccc3ccccc3c2)c1.
What is the InChIKey of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline?
The InChIKey is AFQSHMJBKUPMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-12-35-29-40(24-23-34(35)11-1)43-17-3-6-20-48(43)53(41-15-9-13-36(30-41)38-25-27-45-44-18-4-7-21-49(44)54-50(45)32-38)42-16-10-14-37(31-42)39-26-28-47-46-19-5-8-22-51(46)55-52(47)33-39/h1-33H.
What are the key properties of N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline?
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-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-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline is sourced from PubChem (CID 168767680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).