N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine

C46H29NOS — CID 155187018

IUPACN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NOS/c1-2-11-31-26-34(23-22-30(31)10-1)32-12-7-14-36(27-32)47(41-18-9-20-43-46(41)39-17-3-5-19-42(39)48-43)37-15-8-13-33(28-37)35-24-25-45-40(29-35)38-16-4-6-21-44(38)49-45/h1-29H
InChIKeyAWTZRVVHDIIZGZ-UHFFFAOYSA-N
MW643.81 g/mol
LogP13.91
Rot. Bonds5

About N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine

N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine (PubChem CID 155187018) has the molecular formula C46H29NOS and a molecular weight of 643.81 g/mol. Its IUPAC name is N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
PubChem CID155187018
Molecular FormulaC46H29NOS
Molecular Weight643.81 g/mol
Exact Mass643.20
IUPAC NameN-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
SMILESc1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)c1
InChIInChI=1S/C46H29NOS/c1-2-11-31-26-34(23-22-30(31)10-1)32-12-7-14-36(27-32)47(41-18-9-20-43-46(41)39-17-3-5-19-42(39)48-43)37-15-8-13-33(28-37)35-24-25-45-40(29-35)38-16-4-6-21-44(38)49-45/h1-29H
InChIKeyAWTZRVVHDIIZGZ-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-(3-dibenzothiophen-2-ylphenyl)-N-(5-naphthalen-2-yl-2-phenylphenyl)dibenzofuran-1-amine
CID 167234447
N-dibenzothiophen-3-yl-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 163686453
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-3-amine
CID 163950326
N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine
CID 155186592
N-(3-naphthalen-2-ylphenyl)-N-phenyldibenzofuran-1-amine
CID 167323696
N-(4-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-1-ylphenyl)dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[3-(4-phenylphenyl)phenyl]dibenzofuran-1-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 158074871
N-(3-dibenzothiophen-2-ylphenyl)-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186779
bis(4-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylaniline);N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-3,5-diphenylaniline;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)naphthalen-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 158888724
N-(3-dibenzothiophen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphtho[1,2-b][1]benzofuran-7-amine
CID 171739447
2-dibenzofuran-1-yl-N-(3-dibenzothiophen-2-ylphenyl)-N-(2-naphthalen-1-ylphenyl)aniline
CID 160994934
N-(3,5-diphenylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 167324369
N-naphthalen-1-yl-N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]dibenzofuran-1-amine
CID 174256672

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The IUPAC name of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine (CID 155187018) is N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine.
What is the SMILES notation for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The canonical SMILES for N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine is c1cc(-c2ccc3ccccc3c2)cc(N(c2cccc(-c3ccc4sc5ccccc5c4c3)c2)c2cccc3oc4ccccc4c23)c1.
What is the InChIKey of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
The InChIKey is AWTZRVVHDIIZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29NOS/c1-2-11-31-26-34(23-22-30(31)10-1)32-12-7-14-36(27-32)47(41-18-9-20-43-46(41)39-17-3-5-19-42(39)48-43)37-15-8-13-33(28-37)35-24-25-45-40(29-35)38-16-4-6-21-44(38)49-45/h1-29H.
What are the key properties of N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine?
N-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-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-(3-dibenzothiophen-2-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine is sourced from PubChem (CID 155187018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).