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

C52H33NOS — CID 167325717

IUPACN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NOS/c1-2-12-37-31-39(28-27-34(37)11-1)36-25-23-35(24-26-36)38-13-9-14-40(32-38)53(41-29-30-44-43-16-4-7-20-48(43)54-49(44)33-41)47-19-6-3-15-42(47)45-18-10-22-51-52(45)46-17-5-8-21-50(46)55-51/h1-33H
InChIKeyXSMBMVXBGCPIDW-UHFFFAOYSA-N
MW719.91 g/mol
LogP15.58
Rot. Bonds6

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

N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 167325717) has the molecular formula C52H33NOS and a molecular weight of 719.91 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID167325717
Molecular FormulaC52H33NOS
Molecular Weight719.91 g/mol
Exact Mass719.23
IUPAC NameN-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3sc4ccccc4c23)c1
InChIInChI=1S/C52H33NOS/c1-2-12-37-31-39(28-27-34(37)11-1)36-25-23-35(24-26-36)38-13-9-14-40(32-38)53(41-29-30-44-43-16-4-7-20-48(43)54-49(44)33-41)47-19-6-3-15-42(47)45-18-10-22-51-52(45)46-17-5-8-21-50(46)55-51/h1-33H
InChIKeyXSMBMVXBGCPIDW-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-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325714
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
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
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163818280
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767680
7-N-dibenzofuran-3-yl-7-N-(4-naphthalen-2-ylphenyl)-1-N,1-N-diphenyldibenzothiophene-1,7-diamine
CID 146574115
N-(2-dibenzothiophen-4-ylphenyl)-N-[3-(2-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167324576
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167325355
N-(2-dibenzofuran-2-ylphenyl)-N-(3-dibenzothiophen-1-ylphenyl)-2-naphthalen-2-ylaniline
CID 168767128
1-N-dibenzofuran-3-yl-6-N,6-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,6-diamine;1-N-dibenzofuran-3-yl-1-N-(4-naphthalen-2-ylphenyl)-6-N,6-N-diphenyldibenzothiophene-1,6-diamine
CID 158546525
2-dibenzothiophen-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 163651994

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine (CID 167325717) is N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is c1cc(-c2ccc(-c3ccc4ccccc4c3)cc2)cc(N(c2ccc3c(c2)oc2ccccc23)c2ccccc2-c2cccc3sc4ccccc4c23)c1.
What is the InChIKey of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is XSMBMVXBGCPIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NOS/c1-2-12-37-31-39(28-27-34(37)11-1)36-25-23-35(24-26-36)38-13-9-14-40(32-38)53(41-29-30-44-43-16-4-7-20-48(43)54-49(44)33-41)47-19-6-3-15-42(47)45-18-10-22-51-52(45)46-17-5-8-21-50(46)55-51/h1-33H.
What are the key properties of N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine?
N-(2-dibenzothiophen-1-ylphenyl)-N-[3-(4-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-1-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 167325717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).