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

C52H33NOS — CID 167324576

IUPACN-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-14-35-31-37(28-27-34(35)13-1)41-18-4-3-17-40(41)36-15-11-16-38(32-36)53(39-29-30-44-43-20-6-9-25-49(43)54-50(44)33-39)48-24-8-5-19-42(48)46-22-12-23-47-45-21-7-10-26-51(45)55-52(46)47/h1-33H
InChIKeyFJFQVYFCIKGYKM-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167324576) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167324576
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C52H33NOS/c1-2-14-35-31-37(28-27-34(35)13-1)41-18-4-3-17-40(41)36-15-11-16-38(32-36)53(39-29-30-44-43-20-6-9-25-49(43)54-50(44)33-39)48-24-8-5-19-42(48)46-22-12-23-47-45-21-7-10-26-51(45)55-52(46)47/h1-33H
InChIKeyFJFQVYFCIKGYKM-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-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325717
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
N-(4-dibenzofuran-3-ylphenyl)-2-dibenzothiophen-3-yl-N-(3-naphthalen-2-ylphenyl)aniline
CID 167326309
N-dibenzothiophen-4-yl-N-[3-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-3-amine
CID 154605494
2-dibenzofuran-2-yl-N-(4-dibenzothiophen-3-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]aniline
CID 167325907
N-(2-dibenzothiophen-3-ylphenyl)-N-naphthalen-2-yldibenzofuran-3-amine
CID 163485828
N-(2-dibenzofuran-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 168766676
N-(4-dibenzofuran-1-ylphenyl)-N-(3-dibenzothiophen-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767116
N-(4-dibenzofuran-3-ylphenyl)-N-(2-dibenzothiophen-4-ylphenyl)naphthalen-1-amine
CID 167326001
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (CID 167324576) is N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is c1cc(-c2ccccc2-c2ccc3ccccc3c2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is FJFQVYFCIKGYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-14-35-31-37(28-27-34(35)13-1)41-18-4-3-17-40(41)36-15-11-16-38(32-36)53(39-29-30-44-43-20-6-9-25-49(43)54-50(44)33-39)48-24-8-5-19-42(48)46-22-12-23-47-45-21-7-10-26-51(45)55-52(46)47/h1-33H.
What are the key properties of N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-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-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167324576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).