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

C52H33NOS — CID 167325122

IUPACN-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2cccc3oc4ccccc4c23)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-11-38-32-39(25-24-34(38)10-1)37-22-20-35(21-23-37)36-26-29-41(30-27-36)53(47-16-9-18-49-52(47)45-14-4-7-17-48(45)54-49)46-15-6-3-12-42(46)40-28-31-44-43-13-5-8-19-50(43)55-51(44)33-40/h1-33H
InChIKeyDPIAYFNICYKIGY-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (PubChem CID 167325122) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
PubChem CID167325122
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
SMILESc1ccc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2cccc3oc4ccccc4c23)c(-c2ccc3c(c2)sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-11-38-32-39(25-24-34(38)10-1)37-22-20-35(21-23-37)36-26-29-41(30-27-36)53(47-16-9-18-49-52(47)45-14-4-7-17-48(45)54-49)46-15-6-3-12-42(46)40-28-31-44-43-13-5-8-19-50(43)55-51(44)33-40/h1-33H
InChIKeyDPIAYFNICYKIGY-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-dibenzothiophen-3-ylphenyl)-N-[4-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-1-amine
CID 167324801
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-(4-naphthalen-2-ylphenyl)-N-[2-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine
CID 176810491
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(4-dibenzothiophen-3-ylphenyl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 172502200
N-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163775323
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
2-dibenzothiophen-3-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 167326082
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-3-yl-N-[4-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325453
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-N-(2-phenanthren-1-ylphenyl)dibenzofuran-1-amine
CID 176810251

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine (CID 167325122) is N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is c1ccc(N(c2ccc(-c3ccc(-c4ccc5ccccc5c4)cc3)cc2)c2cccc3oc4ccccc4c23)c(-c2ccc3c(c2)sc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
The InChIKey is DPIAYFNICYKIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-11-38-32-39(25-24-34(38)10-1)37-22-20-35(21-23-37)36-26-29-41(30-27-36)53(47-16-9-18-49-52(47)45-14-4-7-17-48(45)54-49)46-15-6-3-12-42(46)40-28-31-44-43-13-5-8-19-50(43)55-51(44)33-40/h1-33H.
What are the key properties of N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine?
N-(2-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine 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-dibenzothiophen-3-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 167325122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).