N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine

C48H29NOS2 — CID 164972461

IUPACN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4sc4ccccc45)cc3)cccc12
InChIInChI=1S/C48H29NOS2/c1-4-16-43-36(9-1)39-13-7-12-35(47(39)50-43)31-21-26-34(27-22-31)49(42-15-8-14-40-37-10-2-6-18-45(37)52-48(40)42)33-24-19-30(20-25-33)32-23-28-46-41(29-32)38-11-3-5-17-44(38)51-46/h1-29H
InChIKeyGSKUPSIMUABUAB-UHFFFAOYSA-N
MW699.90 g/mol
LogP15.13
Rot. Bonds5

About N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine

N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine (PubChem CID 164972461) has the molecular formula C48H29NOS2 and a molecular weight of 699.90 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
PubChem CID164972461
Molecular FormulaC48H29NOS2
Molecular Weight699.90 g/mol
Exact Mass699.17
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine
SMILESc1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4sc4ccccc45)cc3)cccc12
InChIInChI=1S/C48H29NOS2/c1-4-16-43-36(9-1)39-13-7-12-35(47(39)50-43)31-21-26-34(27-22-31)49(42-15-8-14-40-37-10-2-6-18-45(37)52-48(40)42)33-24-19-30(20-25-33)32-23-28-46-41(29-32)38-11-3-5-17-44(38)51-46/h1-29H
InChIKeyGSKUPSIMUABUAB-UHFFFAOYSA-N
XLogP15.13
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 515.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(6-phenyldibenzofuran-2-yl)phenyl]-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]dibenzothiophen-4-amine
CID 168804932
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351045
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-3-ylphenyl)dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 165023327
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)dibenzofuran-2-amine;N,N-di(dibenzofuran-3-yl)dibenzofuran-3-amine;N,N-di(dibenzothiophen-3-yl)dibenzothiophen-3-amine;N,N-di(dibenzothiophen-4-yl)dibenzothiophen-4-amine
CID 158783151
N-[4-(2-phenyldibenzofuran-4-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 140919317
N-(4-dibenzothiophen-3-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)dibenzofuran-4-amine
CID 164971694
4-dibenzofuran-2-yl-N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)aniline
CID 118406191
N,N-bis(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428236
N-(3-dibenzofuran-4-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)dibenzothiophen-4-amine
CID 164955400
N-(4-dibenzofuran-4-ylphenyl)-2-dibenzothiophen-4-yl-N-(4-naphthalen-2-ylphenyl)aniline
CID 167325168
N-(4-dibenzofuran-3-ylphenyl)-N-(4-dibenzothiophen-1-ylphenyl)dibenzothiophen-4-amine
CID 164949044
N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)-3-dibenzothiophen-2-ylaniline
CID 118428237

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine (CID 164972461) is N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine is c1ccc2c(c1)oc1c(-c3ccc(N(c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)c4cccc5c4sc4ccccc45)cc3)cccc12.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
The InChIKey is GSKUPSIMUABUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS2/c1-4-16-43-36(9-1)39-13-7-12-35(47(39)50-43)31-21-26-34(27-22-31)49(42-15-8-14-40-37-10-2-6-18-45(37)52-48(40)42)33-24-19-30(20-25-33)32-23-28-46-41(29-32)38-11-3-5-17-44(38)51-46/h1-29H.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine?
N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine has a molecular weight of 699.90 g/mol, XLogP of 15.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)dibenzothiophen-4-amine is sourced from PubChem (CID 164972461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).