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

C46H29NOS — CID 168846117

IUPACN-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NOS/c1-2-16-37-30(10-1)11-9-19-38(37)33-14-7-12-31(26-33)32-13-8-15-34(27-32)47(35-22-24-40-39-17-3-5-20-43(39)48-44(40)28-35)36-23-25-42-41-18-4-6-21-45(41)49-46(42)29-36/h1-29H
InChIKeyYSDILRIXOGXGRZ-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

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

N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine (PubChem CID 168846117) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
PubChem CID168846117
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
SMILESc1cc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c2)cc(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NOS/c1-2-16-37-30(10-1)11-9-19-38(37)33-14-7-12-31(26-33)32-13-8-15-34(27-32)47(35-22-24-40-39-17-3-5-20-43(39)48-44(40)28-35)36-23-25-42-41-18-4-6-21-45(41)49-46(42)29-36/h1-29H
InChIKeyYSDILRIXOGXGRZ-UHFFFAOYSA-N
XLogP13.91
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-2-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzofuran-3-amine;N-(4-naphthalen-1-ylphenyl)-N-[3-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-3-amine
CID 160932479
N-(2-dibenzothiophen-3-ylphenyl)-N-[3-(4-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine
CID 167326441
N-(3-dibenzothiophen-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168767493
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)-3-naphthalen-1-ylaniline
CID 167324053
N-(3-naphthalen-1-ylphenyl)-N-phenyldibenzothiophen-3-amine
CID 167324291
N-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-2-amine
CID 168766762
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
N-(3-dibenzofuran-1-ylphenyl)-3-(3-dibenzothiophen-4-ylphenyl)-N-(3-naphthalen-1-ylphenyl)aniline
CID 168767519
N-(3-dibenzofuran-3-ylphenyl)-N-(3-dibenzothiophen-3-ylphenyl)-2-naphthalen-1-ylaniline
CID 168767527
N-(2-dibenzofuran-3-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzothiophen-3-amine
CID 167326184
7-N-dibenzothiophen-3-yl-2-N,2-N-diphenyl-7-N-(3-phenylphenyl)dibenzofuran-2,7-diamine
CID 176781504
N-(3-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 165073445

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine (CID 168846117) is N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine is c1cc(-c2cccc(N(c3ccc4c(c3)oc3ccccc34)c3ccc4c(c3)sc3ccccc34)c2)cc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
The InChIKey is YSDILRIXOGXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-16-37-30(10-1)11-9-19-38(37)33-14-7-12-31(26-33)32-13-8-15-34(27-32)47(35-22-24-40-39-17-3-5-20-43(39)48-44(40)28-35)36-23-25-42-41-18-4-6-21-45(41)49-46(42)29-36/h1-29H.
What are the key properties of N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine?
N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine has a molecular weight of 643.81 g/mol, XLogP of 13.91, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-3-yl-N-[3-(3-naphthalen-1-ylphenyl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 168846117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).