N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine

C46H29NOS — CID 155623993

IUPACN-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NOS/c1-2-16-31-30(14-1)15-11-21-32(31)33-17-3-7-23-38(33)47(40-25-13-27-42-46(40)36-19-5-9-26-41(36)48-42)39-24-8-4-18-34(39)35-22-12-29-44-45(35)37-20-6-10-28-43(37)49-44/h1-29H
InChIKeyGYIFEEHWQJBGET-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine

N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine (PubChem CID 155623993) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
PubChem CID155623993
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine
SMILESc1ccc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1
InChIInChI=1S/C46H29NOS/c1-2-16-31-30(14-1)15-11-21-32(31)33-17-3-7-23-38(33)47(40-25-13-27-42-46(40)36-19-5-9-26-41(36)48-42)39-24-8-4-18-34(39)35-22-12-29-44-45(35)37-20-6-10-28-43(37)49-44/h1-29H
InChIKeyGYIFEEHWQJBGET-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-dibenzothiophen-4-yl-N-(2-dibenzothiophen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739302
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-1-yl-N-[2-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167326359
N-(2-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphtho[1,2-b][1]benzofuran-7-amine
CID 171739542
N-(3-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 168766712
N-(2-dibenzothiophen-1-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-3-amine
CID 167325748
N-(3-dibenzothiophen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 148814620
2-dibenzothiophen-1-yl-N-(2-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167325878
N-(4-dibenzothiophen-1-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186790
N-dibenzothiophen-1-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069291
N-dibenzothiophen-1-yl-N-(6-phenyldibenzothiophen-4-yl)dibenzofuran-1-amine
CID 167397452
N-naphthalen-1-yl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]dibenzothiophen-1-amine
CID 170301225
N-(4-naphthalen-1-ylphenyl)-N-naphtho[2,1-b][1]benzothiol-3-yldibenzofuran-1-amine
CID 170039765

Frequently Asked Questions

What is the IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine (CID 155623993) is N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine is c1ccc(N(c2ccccc2-c2cccc3sc4ccccc4c23)c2cccc3oc4ccccc4c23)c(-c2cccc3ccccc23)c1.
What is the InChIKey of N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
The InChIKey is GYIFEEHWQJBGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-16-31-30(14-1)15-11-21-32(31)33-17-3-7-23-38(33)47(40-25-13-27-42-46(40)36-19-5-9-26-41(36)48-42)39-24-8-4-18-34(39)35-22-12-29-44-45(35)37-20-6-10-28-43(37)49-44/h1-29H.
What are the key properties of N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine?
N-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-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-(2-dibenzothiophen-1-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 155623993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).