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

C52H33NOS — CID 160994934

IUPAC2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H33NOS/c1-2-18-38-34(14-1)15-12-23-39(38)40-19-3-7-25-46(40)53(37-17-11-16-35(32-37)36-30-31-51-45(33-36)42-21-6-10-29-50(42)55-51)47-26-8-4-20-41(47)43-24-13-28-49-52(43)44-22-5-9-27-48(44)54-49/h1-33H
InChIKeyTVCQMSAHUKMMMN-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline (PubChem CID 160994934) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
PubChem CID160994934
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC Name2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
SMILESc1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C52H33NOS/c1-2-18-38-34(14-1)15-12-23-39(38)40-19-3-7-25-46(40)53(37-17-11-16-35(32-37)36-30-31-51-45(33-36)42-21-6-10-29-50(42)55-51)47-26-8-4-20-41(47)43-24-13-28-49-52(43)44-22-5-9-27-48(44)54-49/h1-33H
InChIKeyTVCQMSAHUKMMMN-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-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871
N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzothiophen-2-amine
CID 168767052
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186592
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767527
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
CID 168766720
N-(2-dibenzothiophen-2-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-4-amine
CID 167325008
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155187018
N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 155187007
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-1-ylphenyl)aniline;3-dibenzothiophen-2-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-phenylphenyl)aniline;N-(4-dibenzothiophen-2-ylphenyl)-N-naphthalen-1-yldibenzothiophen-2-amine;N-(3-dibenzothiophen-2-ylphenyl)-3-phenyl-N-(4-phenylphenyl)aniline
CID 158126974
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-4-amine
CID 167324430

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline?
The IUPAC name of 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline (CID 160994934) is 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline.
What is the SMILES notation for 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline?
The canonical SMILES for 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline is c1cc(-c2ccc3sc4ccccc4c3c2)cc(N(c2ccccc2-c2cccc3ccccc23)c2ccccc2-c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline?
The InChIKey is TVCQMSAHUKMMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-18-38-34(14-1)15-12-23-39(38)40-19-3-7-25-46(40)53(37-17-11-16-35(32-37)36-30-31-51-45(33-36)42-21-6-10-29-50(42)55-51)47-26-8-4-20-41(47)43-24-13-28-49-52(43)44-22-5-9-27-48(44)54-49/h1-33H.
What are the key properties of 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline?
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-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 2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline is sourced from PubChem (CID 160994934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).