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

C52H33NOS — CID 168767128

IUPACN-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3ccccc3c2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C52H33NOS/c1-2-14-35-31-37(28-27-34(35)13-1)40-17-3-7-22-46(40)53(39-16-11-15-36(32-39)42-21-12-26-51-52(42)44-20-6-10-25-50(44)55-51)47-23-8-4-18-41(47)38-29-30-49-45(33-38)43-19-5-9-24-48(43)54-49/h1-33H
InChIKeyNENLZUVBJKYWQU-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline (PubChem CID 168767128) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline.

Molecular Properties

Compound NameN-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
PubChem CID168767128
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
SMILESc1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3ccccc3c2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1
InChIInChI=1S/C52H33NOS/c1-2-14-35-31-37(28-27-34(35)13-1)40-17-3-7-22-46(40)53(39-16-11-15-36(32-39)42-21-12-26-51-52(42)44-20-6-10-25-50(44)55-51)47-23-8-4-18-41(47)38-29-30-49-45(33-38)43-19-5-9-24-48(43)54-49/h1-33H
InChIKeyNENLZUVBJKYWQU-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-(2-dibenzofuran-4-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767555
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(2-dibenzofuran-2-ylphenyl)-N-[2-(2-naphthalen-2-ylphenyl)phenyl]dibenzothiophen-1-amine
CID 167325957
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-3-amine
CID 167325463
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N-(3-dibenzofuran-2-yl-2-naphthalen-2-ylphenyl)-N-(2-dibenzothiophen-2-ylphenyl)-5-phenylnaphthalen-2-amine
CID 170665860
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(2-dibenzofuran-2-ylphenyl)-N-(2-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 167325549
2-N-(4-dibenzofuran-2-ylphenyl)-2-N-(3-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,2-diamine
CID 163861720
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
The IUPAC name of N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline (CID 168767128) is N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline.
What is the SMILES notation for N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
The canonical SMILES for N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline is c1cc(-c2cccc3sc4ccccc4c23)cc(N(c2ccccc2-c2ccc3ccccc3c2)c2ccccc2-c2ccc3oc4ccccc4c3c2)c1.
What is the InChIKey of N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
The InChIKey is NENLZUVBJKYWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-14-35-31-37(28-27-34(35)13-1)40-17-3-7-22-46(40)53(39-16-11-15-36(32-39)42-21-12-26-51-52(42)44-20-6-10-25-50(44)55-51)47-23-8-4-18-41(47)38-29-30-49-45(33-38)43-19-5-9-24-48(43)54-49/h1-33H.
What are the key properties of N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline?
N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-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-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline is sourced from PubChem (CID 168767128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).