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

C58H37NOS — CID 168766720

IUPACN-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
SMILESc1cc(-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccccc3-c3cccc4ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NOS/c1-2-23-45-38(15-1)16-12-29-48(45)49-24-3-6-31-53(49)59(44-22-11-20-42(37-44)46-27-14-33-55-57(46)52-26-4-7-32-54(52)60-55)43-21-10-18-40(36-43)39-17-9-19-41(35-39)47-28-13-30-51-50-25-5-8-34-56(50)61-58(47)51/h1-37H
InChIKeyBMIBCRVMDHRWFQ-UHFFFAOYSA-N
MW796.01 g/mol
LogP17.24
Rot. Bonds7

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

N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline (PubChem CID 168766720) has the molecular formula C58H37NOS and a molecular weight of 796.01 g/mol. Its IUPAC name is N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline.

Molecular Properties

Compound NameN-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
PubChem CID168766720
Molecular FormulaC58H37NOS
Molecular Weight796.01 g/mol
Exact Mass795.26
IUPAC NameN-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline
SMILESc1cc(-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccccc3-c3cccc4ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C58H37NOS/c1-2-23-45-38(15-1)16-12-29-48(45)49-24-3-6-31-53(49)59(44-22-11-20-42(37-44)46-27-14-33-55-57(46)52-26-4-7-32-54(52)60-55)43-21-10-18-40(36-43)39-17-9-19-41(35-39)47-28-13-30-51-50-25-5-8-34-56(50)61-58(47)51/h1-37H
InChIKeyBMIBCRVMDHRWFQ-UHFFFAOYSA-N
XLogP17.24
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.01
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767519
N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-yl-N-(4-phenylphenyl)aniline
CID 168767151
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 168766676
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 160994934
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 168766762
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(3-dibenzothiophen-4-ylphenyl)-N-(10-naphthalen-1-ylphenanthren-9-yl)dibenzofuran-1-amine
CID 155304528
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-3-phenyl-2-(2-phenylphenyl)aniline
CID 168789320
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-phenanthren-9-ylphenyl)dibenzofuran-1-amine
CID 155624044
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-1-amine
CID 164955606
N,N-bis(4-dibenzofuran-1-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)aniline
CID 164835607

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline?
The IUPAC name of N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline (CID 168766720) is N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline.
What is the SMILES notation for N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline?
The canonical SMILES for N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline is c1cc(-c2cccc(N(c3cccc(-c4cccc5oc6ccccc6c45)c3)c3ccccc3-c3cccc4ccccc34)c2)cc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline?
The InChIKey is BMIBCRVMDHRWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37NOS/c1-2-23-45-38(15-1)16-12-29-48(45)49-24-3-6-31-53(49)59(44-22-11-20-42(37-44)46-27-14-33-55-57(46)52-26-4-7-32-54(52)60-55)43-21-10-18-40(36-43)39-17-9-19-41(35-39)47-28-13-30-51-50-25-5-8-34-56(50)61-58(47)51/h1-37H.
What are the key properties of N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline?
N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline has a molecular weight of 796.01 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-1-ylphenyl)-N-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-2-naphthalen-1-ylaniline is sourced from PubChem (CID 168766720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).