5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine

C47H32N4OS — CID 131979960

IUPAC5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)sc2cc(-c4cncc(Nc5cccc(-c6cccnc6)c5)c4)ccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H32N4OS/c1-30-14-17-37(18-15-30)51(43-12-5-11-42-39-10-2-3-13-44(39)52-47(42)43)38-19-21-41-40-20-16-32(25-45(40)53-46(41)26-38)34-24-36(29-49-28-34)50-35-9-4-7-31(23-35)33-8-6-22-48-27-33/h2-29,50H,1H3
InChIKeyLZNPHERAQFVOJK-UHFFFAOYSA-N
MW700.87 g/mol
LogP13.60
Rot. Bonds7

About 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine

5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine (PubChem CID 131979960) has the molecular formula C47H32N4OS and a molecular weight of 700.87 g/mol. Its IUPAC name is 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine
PubChem CID131979960
Molecular FormulaC47H32N4OS
Molecular Weight700.87 g/mol
Exact Mass700.23
IUPAC Name5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine
SMILESCc1ccc(N(c2ccc3c(c2)sc2cc(-c4cncc(Nc5cccc(-c6cccnc6)c5)c4)ccc23)c2cccc3c2oc2ccccc23)cc1
InChIInChI=1S/C47H32N4OS/c1-30-14-17-37(18-15-30)51(43-12-5-11-42-39-10-2-3-13-44(39)52-47(42)43)38-19-21-41-40-20-16-32(25-45(40)53-46(41)26-38)34-24-36(29-49-28-34)50-35-9-4-7-31(23-35)33-8-6-22-48-27-33/h2-29,50H,1H3
InChIKeyLZNPHERAQFVOJK-UHFFFAOYSA-N
XLogP13.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.87
LogP ≤ 513.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine?
The IUPAC name of 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine (CID 131979960) is 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine.
What is the SMILES notation for 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine?
The canonical SMILES for 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine is Cc1ccc(N(c2ccc3c(c2)sc2cc(-c4cncc(Nc5cccc(-c6cccnc6)c5)c4)ccc23)c2cccc3c2oc2ccccc23)cc1.
What is the InChIKey of 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine?
The InChIKey is LZNPHERAQFVOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4OS/c1-30-14-17-37(18-15-30)51(43-12-5-11-42-39-10-2-3-13-44(39)52-47(42)43)38-19-21-41-40-20-16-32(25-45(40)53-46(41)26-38)34-24-36(29-49-28-34)50-35-9-4-7-31(23-35)33-8-6-22-48-27-33/h2-29,50H,1H3.
What are the key properties of 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine?
5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine has a molecular weight of 700.87 g/mol, XLogP of 13.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(N-dibenzofuran-4-yl-4-methylanilino)dibenzothiophen-3-yl]-N-(3-pyridin-3-ylphenyl)pyridin-3-amine is sourced from PubChem (CID 131979960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).